Geometry & MOs

Info

ID:

423041

PubChem CID:

135118832

Reduced:

N2O2C17H24 (1)

Stoich.:

A2B2C17D24 (1)

Weight, g/mol:

671.415903

ΔHf, kcal/mol:

-79.36

Dipole, Da:

4.04

IP(EA), eV:

 -8.36(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-[(2-butyl-1H-imidazol-5-yl)methyl]-10-methyl-7-(2-methylpropyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=NC=CC(=C3)C(=O)C)O

DOS

IR

Vibrations