Geometry & MOs

Info

ID:	445826
PubChem CID:	135269686
Reduced:	FO3N4C31H45 (1)
Stoich.:	AB3C4D31E45 (1)
Weight, g/mol:	448.320212
ΔH_f, kcal/mol:	-127.83
Dipole, Da:	5.68
IP(EA), eV:	-8.73(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC(=CC=C2)OCC3CCN(CC3)CC(C)(C)F)C)CC4=CC=C(C=C4)C(=O)NO

DOS

IR

Vibrations