Geometry & MOs

Info

ID:	168807
PubChem CID:	75021004
Reduced:	NOC9H11 (3)
Stoich.:	ABC9D11 (3)
Weight, g/mol:	417.252861
ΔH_f, kcal/mol:	-12.77
Dipole, Da:	4.44
IP(EA), eV:	-8.78(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[2-[[1-(1H-benzimidazol-2-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]pyrrolidin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(C3CCCN3CC4=CC(=CC=C4)[N+](=O)[O-])O

DOS

IR

Vibrations