Geometry & MOs

Info

ID:	71927
PubChem CID:	48415626
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	-36.8
Dipole, Da:	2.51
IP(EA), eV:	-8.68(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-cyano-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CCC(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations