Geometry & MOs

Info

ID:	151089
PubChem CID:	53790787
Reduced:	N2O5C21H44 (1)
Stoich.:	A2B5C21D44 (1)
Weight, g/mol:	496.226312
ΔH_f, kcal/mol:	-267.22
Dipole, Da:	4.62
IP(EA), eV:	-9.02(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[6-(1-hydroxyisoindol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

CCOCCCN(CCCOCC)C(=O)N(CCCOCC)CCCOCC

DOS

IR

Vibrations