Geometry & MOs

Info

ID:	224309
PubChem CID:	85341238
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	294.219495
ΔH_f, kcal/mol:	-62.34
Dipole, Da:	5.9
IP(EA), eV:	-9.39(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-5,8-dimethyl-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl) acetate

Drug info:

PubChemData

Smile

CC1C2C=CCCC2CN1S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations