Geometry & MOs

Info

ID:	183212
PubChem CID:	76992246
Reduced:	N2O4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-195.15
Dipole, Da:	7.25
IP(EA), eV:	-9.43(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-4-oxo-4-(3-pyrazol-1-ylanilino)but-2-enoic acid

Drug info:

PubChemData

Smile

CCC(CC)CN(CC)C(=O)NC(=O)C(=C(C)C(=O)O)C

DOS

IR

Vibrations