Geometry & MOs

Info

ID:	438679
PubChem CID:	135228429
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	333.230394
ΔH_f, kcal/mol:	-142.73
Dipole, Da:	2.09
IP(EA), eV:	-9.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydroxyphenyl)ethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=C)C1=CC(=C(C=C1CO)OC)C(=O)OC

DOS

IR

Vibrations