Geometry & MOs

Info

ID:	426475
PubChem CID:	135144323
Reduced:	NC24H24 (2)
Stoich.:	AB24C24 (2)
Weight, g/mol:	431.22968
ΔH_f, kcal/mol:	97.82
Dipole, Da:	0.37
IP(EA), eV:	-8.63(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-amino-2-(dimethylamino)ethyl]-2-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4N=C32)CCCCCCCCCCCCCCC5=C6C=CC7=CC=CC=C7C6=NC8=CC=CC=C85

DOS

IR

Vibrations