Geometry & MOs

Info

ID:	49378
PubChem CID:	11532942
Reduced:	O8H20C27 (1)
Stoich.:	A8B20C27 (1)
Weight, g/mol:	472.22501
ΔH_f, kcal/mol:	-193.85
Dipole, Da:	14.11
IP(EA), eV:	-8.87(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)OCCCCCOC4=C5C=CC(=O)OC5=CC6=C4C=CO6

DOS

IR

Vibrations