Geometry & MOs

Info

ID:	445287
PubChem CID:	135265864
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-125.81
Dipole, Da:	2.73
IP(EA), eV:	-8.58(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[4-[(2Z,4Z)-hexa-2,4-dienyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCNC1=C(C=CC(=C1OC)C(=O)OC)CC(C)C

DOS

IR

Vibrations