Geometry & MOs

Info

ID:	198712
PubChem CID:	79140088
Reduced:	IN3O3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-50.4
Dipole, Da:	3.57
IP(EA), eV:	-9.65(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(1H-pyrazol-5-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1I)C(=O)O)NC(=O)CC2=CC=NN2

DOS

IR

Vibrations