Geometry & MOs

Info

ID:	420264
PubChem CID:	135112136
Reduced:	ClNO3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	299.148121
ΔH_f, kcal/mol:	-116.86
Dipole, Da:	7.07
IP(EA), eV:	-9.06(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)OC)OCC1

DOS

IR

Vibrations