Geometry & MOs

Info

ID:	183832
PubChem CID:	77075826
Reduced:	ClN2O2C9H11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	180.089878
ΔH_f, kcal/mol:	-50.04
Dipole, Da:	2.89
IP(EA), eV:	-9.39(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(4-methylpyrazol-1-yl)but-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=NN1CC=C(C)C(=O)O)Cl

DOS

IR

Vibrations