Geometry & MOs

Info

ID:	415061
PubChem CID:	135088047
Reduced:	N3O4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-162.32
Dipole, Da:	5.59
IP(EA), eV:	-8.52(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C3=CC=CC(=N3)C(=O)N(C)C)O

DOS

IR

Vibrations