Geometry & MOs

Info

ID:	179797
PubChem CID:	76533527
Reduced:	ON2C26H34 (1)
Stoich.:	AB2C26D34 (1)
Weight, g/mol:	407.199762
ΔH_f, kcal/mol:	-15.19
Dipole, Da:	5.48
IP(EA), eV:	-9.23(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6,9a-trimethyl-7-oxo-2,3-diphenyl-5,5a-dihydro-4H-benzo[g]indazole-8-carbonitrile

Drug info:

PubChemData

Smile

CC12CCCCC(=O)N1CCC3C2CCC4(C3CC=C4C5=CN=CC(=C5)C=C)C

DOS

IR

Vibrations