Geometry & MOs

Info

ID:	337783
PubChem CID:	127258406
Reduced:	N3O7C27H37 (1)
Stoich.:	A3B7C27D37 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-258.11
Dipole, Da:	4.0
IP(EA), eV:	-8.04(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC(C(C1=CC(=C(C=C1)OC)OC)O)N2CCC(CC2)N3CNC4=CC=CC=C43.C(CC(=O)O)C(=O)O

DOS

IR

Vibrations