Geometry & MOs

Info

ID:	210897
PubChem CID:	80868839
Reduced:	ON6C9H10 (1)
Stoich.:	AB6C9D10 (1)
Weight, g/mol:	260.138559
ΔH_f, kcal/mol:	48.07
Dipole, Da:	6.93
IP(EA), eV:	-9.46(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CNC1=NC=CC(=N1)N2C=C(C=N2)C(=O)N

DOS

IR

Vibrations