Geometry & MOs

Info

ID:	186639
PubChem CID:	77459944
Reduced:	O5N6C26H32 (1)
Stoich.:	A5B6C26D32 (1)
Weight, g/mol:	308.188863
ΔH_f, kcal/mol:	-133.37
Dipole, Da:	8.32
IP(EA), eV:	-9.2(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6,9a-trimethyl-1-phenyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one

Drug info:

PubChemData

Smile

CN1C=NC=C1C(=O)N2CCN(CC2)C(=O)C3CCC(CC3)CN4C(=O)C5=CC(C=CC5=NC4=O)OC

DOS

IR

Vibrations