Geometry & MOs

Info

ID:	420139
PubChem CID:	135111382
Reduced:	NO4C20H29 (1)
Stoich.:	AB4C20D29 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-182.58
Dipole, Da:	6.79
IP(EA), eV:	-9.22(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-cyclopropyl-4-hydroxy-3-methoxy-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CC[C@@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations