Geometry & MOs

Info

ID:	255344
PubChem CID:	103131507
Reduced:	N3C8H11 (1)
Stoich.:	A3B8C11 (1)
Weight, g/mol:	202.074228
ΔH_f, kcal/mol:	75.38
Dipole, Da:	4.62
IP(EA), eV:	-9.14(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrazol-3-yl)benzoic acid

Drug info:

PubChemData

Smile

CC(C#CC1=NN(C=C1)C)N

DOS

IR

Vibrations