Geometry & MOs

Info

ID:	132376
PubChem CID:	51351177
Reduced:	O3C19H34 (1)
Stoich.:	A3B19C34 (1)
Weight, g/mol:	481.284161
ΔH_f, kcal/mol:	-176.62
Dipole, Da:	3.68
IP(EA), eV:	-9.2(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-[[4-(cyclohexanecarbonyl)-7-phenyl-1,4-diazepan-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)OCC(=O)COC2CCCCC2

DOS

IR

Vibrations