Geometry & MOs

Info

ID:	423435
PubChem CID:	135119497
Reduced:	FO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	312.14337
ΔH_f, kcal/mol:	-78.93
Dipole, Da:	6.24
IP(EA), eV:	-8.69(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[(1R,3R,4S)-4-hydroxy-3-methoxycyclohexanecarbonyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC4=C(N3C)C=CC(=C4)F

DOS

IR

Vibrations