Geometry & MOs

Info

ID:	449421
PubChem CID:	135298453
Reduced:	NP2C25H31 (1)
Stoich.:	AB2C25D31 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	0.17
Dipole, Da:	3.31
IP(EA), eV:	-8.49(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]benzaldehyde

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1N(PC2=CC(=CC(=C2)C)C)PC3=CC(=CC(=C3)C)C)C

DOS

IR

Vibrations