Geometry & MOs

Info

ID:	42998
PubChem CID:	10317665
Reduced:	OS3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	380.282764
ΔH_f, kcal/mol:	31.26
Dipole, Da:	2.59
IP(EA), eV:	-8.51(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-anilino-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)N2CCN(CC2)C(=O)C3=C(SN=C3SC)SC

DOS

IR

Vibrations