Geometry & MOs

Info

ID:	421718
PubChem CID:	135116496
Reduced:	O2N4C17H30 (1)
Stoich.:	A2B4C17D30 (1)
Weight, g/mol:	337.144471
ΔH_f, kcal/mol:	-68.01
Dipole, Da:	4.64
IP(EA), eV:	-8.66(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=NC=CN3CCOC)CO

DOS

IR

Vibrations