Geometry & MOs

Info

ID:	417850
PubChem CID:	135102909
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	345.155178
ΔH_f, kcal/mol:	-96.62
Dipole, Da:	0.8
IP(EA), eV:	-8.93(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)C(=O)N(CCO)CC2=C(NC=N2)C

DOS

IR

Vibrations