Geometry & MOs

Info

ID:	415067
PubChem CID:	135088053
Reduced:	N3O5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-136.32
Dipole, Da:	7.01
IP(EA), eV:	-10.03(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-benzyl-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)CN3C=CC=N3)C(=O)O)C(=O)O

DOS

IR

Vibrations