Geometry & MOs

Info

ID:	446648
PubChem CID:	135276631
Reduced:	NSO4H11C15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	300.245316
ΔH_f, kcal/mol:	-89.89
Dipole, Da:	7.32
IP(EA), eV:	-8.8(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-propan-2-yl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=CC=CC=C3OC2=O

DOS

IR

Vibrations