Geometry & MOs

Info

ID:	264106
PubChem CID:	103428966
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-96.23
Dipole, Da:	5.28
IP(EA), eV:	-9.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-2-[(1-methylpyrazol-4-yl)methylcarbamoyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)C(=O)O)C(=O)NCC2=CSC(=N2)C

DOS

IR

Vibrations