Geometry & MOs

Info

ID:	207700
PubChem CID:	80439592
Reduced:	BrON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	278.221895
ΔH_f, kcal/mol:	2.93
Dipole, Da:	2.56
IP(EA), eV:	-8.9(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,4-dimethylpiperazin-2-yl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1Br)CC(C)C)C2=CC=CO2

DOS

IR

Vibrations