Geometry & MOs

Info

ID:	59376
PubChem CID:	24844236
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-99.83
Dipole, Da:	5.44
IP(EA), eV:	-8.71(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propan-2-ylcarbamate

Drug info:

PubChemData

Smile

CCCCOC(=O)N(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C(C)C

DOS

IR

Vibrations