Geometry & MOs

Info

ID:	445833
PubChem CID:	135269709
Reduced:	NOC21H37 (1)
Stoich.:	ABC21D37 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-80.81
Dipole, Da:	2.9
IP(EA), eV:	-8.6(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4,5-trimethylpiperazin-1-yl)methyl]benzaldehyde

Drug info:

PubChemData

Smile

CCC(C)CC1CCN(C1)CC2CCC(CC2)CCC(=O)C=C

DOS

IR

Vibrations