Geometry & MOs

Info

ID:	338607
PubChem CID:	127259618
Reduced:	OC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-35.66
Dipole, Da:	4.26
IP(EA), eV:	-9.94(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-4-(4-methylpiperazin-1-yl)but-1-enyl]benzaldehyde

Drug info:

PubChemData

Smile

CCC(=O)/C=C/C1=CC=C(C=C1)C=O

DOS

IR

Vibrations