Geometry & MOs

Info

ID:	423956
PubChem CID:	135120877
Reduced:	FO2N4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	334.225643
ΔH_f, kcal/mol:	-48.58
Dipole, Da:	2.47
IP(EA), eV:	-8.76(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxy-3-methoxy-N-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC=C1F)NCC2COC3=CC=CC=C3O2

DOS

IR

Vibrations