Geometry & MOs

Info

ID:	72081
PubChem CID:	48415792
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	391.16444
ΔH_f, kcal/mol:	-14.22
Dipole, Da:	6.13
IP(EA), eV:	-9.09(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations