Geometry & MOs

Info

ID:	203385
PubChem CID:	79822027
Reduced:	N3C6H7 (2)
Stoich.:	A3B6C7 (2)
Weight, g/mol:	266.057053
ΔH_f, kcal/mol:	93.57
Dipole, Da:	2.08
IP(EA), eV:	-8.24(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-propyl-1-pyrimidin-4-ylpyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C2=NC3=C(N2)C=CC(=N3)NC

DOS

IR

Vibrations