Geometry & MOs

Info

ID:	269769
PubChem CID:	103618982
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-17.71
Dipole, Da:	3.24
IP(EA), eV:	-8.9(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)N

DOS

IR

Vibrations