Geometry & MOs

Info

ID:	423275
PubChem CID:	135119224
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	349.225308
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	3.68
IP(EA), eV:	-9.3(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CN(C(=O)C=C4)C

DOS

IR

Vibrations