Geometry & MOs

Info

ID:	420236
PubChem CID:	135111984
Reduced:	SN5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	375.179421
ΔH_f, kcal/mol:	63.05
Dipole, Da:	4.52
IP(EA), eV:	-9.17(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN(C)CC2=C(N=NS2)C(C)C

DOS

IR

Vibrations