Geometry & MOs

Info

ID:	210894
PubChem CID:	80868836
Reduced:	ON6C11H14 (1)
Stoich.:	AB6C11D14 (1)
Weight, g/mol:	260.138559
ΔH_f, kcal/mol:	33.03
Dipole, Da:	6.81
IP(EA), eV:	-9.18(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)N2C=C(C=N2)C(=O)N)C

DOS

IR

Vibrations