Geometry & MOs

Info

ID:

322045

PubChem CID:

126668395

Reduced:

O29C39H72 (1)

Stoich.:

A29B39C72 (1)

Weight, g/mol:

361.179027

ΔHf, kcal/mol:

-1343.04

Dipole, Da:

6.61

IP(EA), eV:

 -9.93(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](OC([C@@H](C1O[C@H]2[C@H](C([C@H](C(O2)CO)O)O)O[C@H]3[C@H](C([C@@H](C(O3)C)O)O)O)O)CO)O[C@H]4[C@H](C(O[C@@H](C4O)O[C@H](CO)C(CO)O[C@H]([C@H](C)O)O[C@@H](C)C(CO)O[C@H]([C@H](CO)O)O)CO)O

DOS

IR

Vibrations