Geometry & MOs

Info

ID:	422353
PubChem CID:	135117682
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	341.139386
ΔH_f, kcal/mol:	-68.3
Dipole, Da:	5.16
IP(EA), eV:	-9.22(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[(5-chloro-2-methoxyphenyl)methyl]-4-hydroxy-3-methoxy-N-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=NC=C1)NCCC2CCCOC2

DOS

IR

Vibrations