Geometry & MOs

Info

ID:	71813
PubChem CID:	48415484
Reduced:	FO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-78.84
Dipole, Da:	7.86
IP(EA), eV:	-8.59(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCC3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations