Geometry & MOs

Info

ID:	253099
PubChem CID:	103116021
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	286.154209
ΔH_f, kcal/mol:	48.39
Dipole, Da:	3.44
IP(EA), eV:	-8.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-aminopyridin-3-yl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1N)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations