Geometry & MOs

Info

ID:	394585
PubChem CID:	135023259
Reduced:	NSC7H9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	266.167065
ΔH_f, kcal/mol:	33.66
Dipole, Da:	4.22
IP(EA), eV:	-9.07(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-3a-methyl-1-phenyl-6-prop-1-en-2-yl-5,6,7,7a-tetrahydro-3H-inden-4-one

Drug info:

PubChemData

Smile

C1CCC(=CC1)SC#N

DOS

IR

Vibrations