Geometry & MOs

Info

ID:	422625
PubChem CID:	135118158
Reduced:	N6O7C35H50 (1)
Stoich.:	A6B7C35D50 (1)
Weight, g/mol:	349.225308
ΔH_f, kcal/mol:	-223.4
Dipole, Da:	11.18
IP(EA), eV:	-8.52(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-ethyl-N-[2-(4-ethylphenoxy)ethyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)CN(C)C

DOS

IR

Vibrations