Geometry & MOs

Info

ID:	211348
PubChem CID:	80935965
Reduced:	N2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	251.057388
ΔH_f, kcal/mol:	49.39
Dipole, Da:	1.33
IP(EA), eV:	-9.38(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-2-ethylpyrimidin-4-yl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)N)CC2=CC=CC=N2

DOS

IR

Vibrations