Geometry & MOs

Info

ID:	12196
PubChem CID:	132163
Reduced:	O3N5H13C17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	335.101839
ΔH_f, kcal/mol:	-21.44
Dipole, Da:	5.85
IP(EA), eV:	-9.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations