Geometry & MOs

Info

ID:	242877
PubChem CID:	99213542
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	395.159354
ΔH_f, kcal/mol:	-20.07
Dipole, Da:	7.59
IP(EA), eV:	-8.37(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C=C1)C2=CC=C(C=C2)NC(=O)/C=C\C3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations