Geometry & MOs

Info

ID:	187149
PubChem CID:	77535964
Reduced:	N7O9C27H47 (1)
Stoich.:	A7B9C27D47 (1)
Weight, g/mol:	401.169919
ΔH_f, kcal/mol:	-389.92
Dipole, Da:	4.66
IP(EA), eV:	-8.82(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-benzimidazole-2-carbonylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C(CCN)CC(C(=O)O)N.C(CC(=O)N)C(C(=O)O)N

DOS

IR

Vibrations