Geometry & MOs

Info

ID:	253834
PubChem CID:	103120963
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	30.8
Dipole, Da:	3.95
IP(EA), eV:	-8.75(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN(CC1CCNCC1)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations