Geometry & MOs

Info

ID:	445364
PubChem CID:	135266500
Reduced:	ClFNC22H25 (1)
Stoich.:	ABCD22E25 (1)
Weight, g/mol:	471.279824
ΔH_f, kcal/mol:	-38.12
Dipole, Da:	5.56
IP(EA), eV:	-8.25(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-fluorophenyl)-1,2-dimethyl-4-[3-[4-(1,2,3,6-tetrahydropyridin-4-yl)piperazin-1-yl]phenyl]pyrrol-3-yl]ethenamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=C(N(C(=C2C)C)C(C)C)C3=CC=C(CC3)Cl

DOS

IR

Vibrations