Geometry & MOs

Info

ID:	137331
PubChem CID:	52191536
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	229.157898
ΔH_f, kcal/mol:	-123.57
Dipole, Da:	5.86
IP(EA), eV:	-8.11(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(piperidin-4-ylmethyl)benzimidazole

Drug info:

PubChemData

Smile

CN(C)C[C@H](CNC(=O)NC1=CC2=C(C=C1)OCCCO2)[C@H](C3=CC=CC=C3)O

DOS

IR

Vibrations