Geometry & MOs

Info

ID:	210896
PubChem CID:	80868838
Reduced:	ON6C8H8 (1)
Stoich.:	AB6C8D8 (1)
Weight, g/mol:	218.091609
ΔH_f, kcal/mol:	48.07
Dipole, Da:	6.12
IP(EA), eV:	-9.68(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CN=C(N=C1N2C=C(C=N2)C(=O)N)N

DOS

IR

Vibrations