Geometry & MOs

Info

ID:	410973
PubChem CID:	135083777
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	263.046154
ΔH_f, kcal/mol:	-48.51
Dipole, Da:	5.76
IP(EA), eV:	-9.15(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-1-(4-chlorophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=C)/C=C/CC(C)(C)[C@@H]1C=C(C(=O)O1)C=C

DOS

IR

Vibrations