Geometry & MOs

Info

ID:	420487
PubChem CID:	135113431
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	-36.91
Dipole, Da:	4.73
IP(EA), eV:	-9.16(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)CN2CCCN(CC2)C(=O)C3=NC=CC(=C3)OC

DOS

IR

Vibrations