Geometry & MOs

Info

ID:	51146
PubChem CID:	12013774
Reduced:	ON4H20C25 (1)
Stoich.:	AB4C20D25 (1)
Weight, g/mol:	426.124739
ΔH_f, kcal/mol:	113.98
Dipole, Da:	3.7
IP(EA), eV:	-8.74(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-benzylideneamino]-2-(4-chlorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(N(N=C2C3=CC=CC=C31)C4=CC=CC=C4)C(=O)N/N=C/C5=CC=CC=C5

DOS

IR

Vibrations