Geometry & MOs

Info

ID:	72216
PubChem CID:	48415934
Reduced:	OSN3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	12.6
Dipole, Da:	7.38
IP(EA), eV:	-8.44(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-oxo-3-propylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSCC(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations