Geometry & MOs

Info

ID:	417563
PubChem CID:	135102049
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	351.204573
ΔH_f, kcal/mol:	-41.26
Dipole, Da:	5.79
IP(EA), eV:	-8.41(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N(C)C)N2CC[C@H]([C@@H](C2)O)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations