Geometry & MOs

Info

ID:	414966
PubChem CID:	135087946
Reduced:	ON2C21H34 (1)
Stoich.:	AB2C21D34 (1)
Weight, g/mol:	391.174336
ΔH_f, kcal/mol:	-46.28
Dipole, Da:	1.99
IP(EA), eV:	-8.57(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)CN(C)C2C[C@H]3CC(C[C@H]3C2)N(C)C)OC)C

DOS

IR

Vibrations