Geometry & MOs

Info

ID:	29895
PubChem CID:	838049
Reduced:	NO5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	322.178024
ΔH_f, kcal/mol:	-152.03
Dipole, Da:	5.56
IP(EA), eV:	-8.25(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5R)-3,5-dimethylcyclohexyl] 2,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2OC)OC)OC

DOS

IR

Vibrations