Geometry & MOs

Info

ID:	383826
PubChem CID:	134975775
Reduced:	NOSeC12H23 (1)
Stoich.:	ABCD12E23 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-65.02
Dipole, Da:	5.26
IP(EA), eV:	-7.7(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9aS)-9,9,9a-trimethyl-1,2,7,8-tetrahydrobenzo[7]annulen-3-one

Drug info:

PubChemData

Smile

C[C@H](C(=[Se])N1CCCC1)[C@@](C)(C(C)C)O

DOS

IR

Vibrations