Geometry & MOs

Info

ID:	383310
PubChem CID:	134974953
Reduced:	ON3H24C30 (1)
Stoich.:	AB3C24D30 (1)
Weight, g/mol:	443.199762
ΔH_f, kcal/mol:	114.95
Dipole, Da:	4.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.327827
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(=NC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)N5CN(C6=CC=CC=C65)C)[O-]

DOS

IR

Vibrations