Geometry & MOs

Info

ID:	272661
PubChem CID:	103750786
Reduced:	NO2C17H29 (1)
Stoich.:	AB2C17D29 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-148.21
Dipole, Da:	5.79
IP(EA), eV:	-9.82(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-4-methylpentan-3-yl)-1,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(CCO)NC(=O)C12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations