Geometry & MOs

Info

ID:	302041
PubChem CID:	124338786
Reduced:	BrClFON2C20H21 (1)
Stoich.:	ABCDE2F20G21 (1)
Weight, g/mol:	445.193233
ΔH_f, kcal/mol:	-68.21
Dipole, Da:	5.52
IP(EA), eV:	-8.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC3=C(C=CC=C3Cl)F)Br

DOS

IR

Vibrations