Geometry & MOs

Info

ID:	351581
PubChem CID:	127280473
Reduced:	O2N7C18H25 (1)
Stoich.:	A2B7C18D25 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-7.49
Dipole, Da:	4.26
IP(EA), eV:	-9.17(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-oxo-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)C(=O)N3CCN(CC3)C(=O)CN4CCCC4)C

DOS

IR

Vibrations