Geometry & MOs

Info

ID:	138966
PubChem CID:	52451154
Reduced:	NO2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-174.78
Dipole, Da:	5.18
IP(EA), eV:	-10.06(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylprop-2-enyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Drug info:

PubChemData

Smile

CC[C@]1(C(=O)N(C(=O)N1)CC(=O)OCC(=C)C)C

DOS

IR

Vibrations