Geometry & MOs

Info

ID:	347892
PubChem CID:	127272954
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-15.72
Dipole, Da:	4.1
IP(EA), eV:	-8.41(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-3H-benzimidazol-5-yl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=CC=C2)C(=O)NC3=CC4=C(C=C3)N=C(N4)N5CCOCC5

DOS

IR

Vibrations