Geometry & MOs

Info

ID:	175179
PubChem CID:	75864340
Reduced:	ClNO3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	430.176681
ΔH_f, kcal/mol:	-103.98
Dipole, Da:	2.18
IP(EA), eV:	-8.46(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-acetyl-1-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]oxy-4-iminopent-2-en-2-olate

Drug info:

PubChemData

Smile

CCC(C)C(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3

DOS

IR

Vibrations