Geometry & MOs

Info

ID:	273313
PubChem CID:	103770889
Reduced:	N3O4C12H19 (1)
Stoich.:	A3B4C12D19 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-94.96
Dipole, Da:	3.87
IP(EA), eV:	-10.11(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-2-pyrazol-1-ylacetamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC=C(N1C)[N+](=O)[O-])O

DOS

IR

Vibrations