Geometry & MOs

Info

ID:	210898
PubChem CID:	80868840
Reduced:	ON6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	246.122909
ΔH_f, kcal/mol:	21.77
Dipole, Da:	7.1
IP(EA), eV:	-9.38(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations