Geometry & MOs

Info

ID:	445835
PubChem CID:	135269719
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	462.299476
ΔH_f, kcal/mol:	-59.93
Dipole, Da:	3.61
IP(EA), eV:	-8.97(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzaldehyde

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=C(C=C2)/C=C/C(=O)NO)C)C=O

DOS

IR

Vibrations