Geometry & MOs

Info

ID:	336252
PubChem CID:	127255259
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	-53.64
Dipole, Da:	4.78
IP(EA), eV:	-8.37(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2,5-dimethylpyrrol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=CC(=O)N2)N1)CCC(=O)NCCC3=CN(C4=CC=CC=C43)C

DOS

IR

Vibrations