Geometry & MOs

Info

ID:	401263
PubChem CID:	135050733
Reduced:	ON2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	334.08359
ΔH_f, kcal/mol:	-37.2
Dipole, Da:	2.13
IP(EA), eV:	-9.48(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8R)-4a,8-dimethyl-3-phenylselanyl-3,4,5,6,7,8-hexahydronaphthalen-2-one

Drug info:

PubChemData

Smile

CCCCCC(=O)N(C/C=C/C)[C@@H](C1=CC=CC=C1)N

DOS

IR

Vibrations