Geometry & MOs

Info

ID:	28189
PubChem CID:	826142
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	280.167459
ΔH_f, kcal/mol:	-50.97
Dipole, Da:	2.72
IP(EA), eV:	-8.33(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-methyl-1-(3,4,5-trimethoxyphenyl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(N1)C=CC(=C2)NC(=O)C)CC=C

DOS

IR

Vibrations