Geometry & MOs

Info

ID:	376445
PubChem CID:	134222458
Reduced:	ON2H14C18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	345.184112
ΔH_f, kcal/mol:	44.27
Dipole, Da:	3.39
IP(EA), eV:	-8.61(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(butylamino)-2-(3-methylphenyl)-1H-benzo[g]indazol-3-one

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2C3=C1C(=O)N(N3)C4=CC=CC=C4

DOS

IR

Vibrations