Geometry & MOs

Info

ID:	182501
PubChem CID:	76894906
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-93.91
Dipole, Da:	4.33
IP(EA), eV:	-8.62(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3,3-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CN(CC(=O)OC)C(=O)C(CC1=CNC2=CC=CC=C21)N

DOS

IR

Vibrations