Geometry & MOs

Info

ID:	51145
PubChem CID:	12013773
Reduced:	SnH28C35 (1)
Stoich.:	AB28C35 (1)
Weight, g/mol:	392.163711
ΔH_f, kcal/mol:	175.68
Dipole, Da:	1.34
IP(EA), eV:	-8.6(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[Sn]1(C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations