Geometry & MOs

Info

ID:	200381
PubChem CID:	79380605
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-101.33
Dipole, Da:	2.61
IP(EA), eV:	-8.03(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)NCCCC(=O)NC2CC2)N

DOS

IR

Vibrations