Geometry & MOs

Info

ID:	210895
PubChem CID:	80868837
Reduced:	ON6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	204.075959
ΔH_f, kcal/mol:	23.66
Dipole, Da:	7.71
IP(EA), eV:	-9.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminopyrimidin-4-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC1=NC(=CC(=N1)N2C=C(C=N2)C(=O)N)C

DOS

IR

Vibrations