Geometry & MOs

Info

ID:	419297
PubChem CID:	135107909
Reduced:	ClO3N4C14H17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-52.45
Dipole, Da:	2.07
IP(EA), eV:	-9.43(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=NNC(=C3Cl)C

DOS

IR

Vibrations