Geometry & MOs

Info

ID:	286826
PubChem CID:	104222545
Reduced:	ON6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	246.122909
ΔH_f, kcal/mol:	48.68
Dipole, Da:	8.73
IP(EA), eV:	-9.65(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(ethylaminomethyl)pyrimidin-2-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCNCC1=CN=C(N=C1)N2C=CC(=N2)C(=O)N

DOS

IR

Vibrations