Geometry & MOs

Info

ID:	416644
PubChem CID:	135089902
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	415.215887
ΔH_f, kcal/mol:	-83.78
Dipole, Da:	2.26
IP(EA), eV:	-9.2(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC(=O)CCOC2=CC=CC=C2)CC3=CC=NC=C3

DOS

IR

Vibrations