Geometry & MOs

Info

ID:	85775
PubChem CID:	49879009
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	337.109627
ΔH_f, kcal/mol:	-48.96
Dipole, Da:	5.28
IP(EA), eV:	-8.19(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)NC(=O)CC1COC2=CC=CC=C2N1CC3=CC=CC=C3

DOS

IR

Vibrations