Geometry & MOs

Info

ID:

414516

PubChem CID:

135087475

Reduced:

N3O3C17H22 (2)

Stoich.:

A3B3C17D22 (2)

Weight, g/mol:

313.153875

ΔHf, kcal/mol:

-229.04

Dipole, Da:

6.93

IP(EA), eV:

 -9.38(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-hydroxy-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)/C=C/C2=CC=CC=C2)C)CC3=CC=CC=C3

DOS

IR

Vibrations