Geometry & MOs

Info

ID:	312383
PubChem CID:	126604532
Reduced:	SH12C13 (1)
Stoich.:	AB12C13 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	30.96
Dipole, Da:	1.98
IP(EA), eV:	-8.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,9,11a-trimethyl-1,6-dihydrobenzo[c][1]benzazepin-11-one

Drug info:

PubChemData

Smile

CC1CSC2=C1C3=CC=CC=C3C=C2

DOS

IR

Vibrations