Geometry & MOs

Info

ID:	134303
PubChem CID:	51676494
Reduced:	O4N5C21H25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	398.210661
ΔH_f, kcal/mol:	-75.79
Dipole, Da:	9.23
IP(EA), eV:	-6.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(1H-benzimidazol-2-yl)-4-propan-2-ylpiperazin-1-yl]-naphthalen-2-ylmethanone

Drug info:

PubChemData

Smile

C[NH+](C)CCNC(=O)C1=C2NC=C(C(=O)[N+]2=CC=C1)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations