Geometry & MOs

Info

ID:	425740
PubChem CID:	135127702
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-2.01
Dipole, Da:	3.72
IP(EA), eV:	-8.25(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(4-aminopiperazin-1-yl)phenyl]but-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)/C=C/C(=O)C1=CC=C(C=C1)N2CCN(CC2)N

DOS

IR

Vibrations