Geometry & MOs

Info

ID:	59379
PubChem CID:	24844240
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-103.04
Dipole, Da:	3.41
IP(EA), eV:	-8.64(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(C)C)C(=O)OCC(C)C

DOS

IR

Vibrations