Geometry & MOs

Info

ID:	74836
PubChem CID:	48422566
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-119.33
Dipole, Da:	4.17
IP(EA), eV:	-8.38(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OCC3CC3

DOS

IR

Vibrations