Geometry & MOs

Info

ID:	150582
PubChem CID:	53790275
Reduced:	ClN2F3H6C8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	379.181526
ΔH_f, kcal/mol:	-109.5
Dipole, Da:	4.12
IP(EA), eV:	-8.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-phenylmethyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

C1C(=CC(=CN1CC#N)Cl)C(F)(F)F

DOS

IR

Vibrations