Geometry & MOs

Info

ID:	152812
PubChem CID:	56311886
Reduced:	O2F3N5C23H24 (1)
Stoich.:	A2B3C5D23E24 (1)
Weight, g/mol:	465.262757
ΔH_f, kcal/mol:	-173.76
Dipole, Da:	2.78
IP(EA), eV:	-9.19(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)N=C(N4)C(F)(F)F

DOS

IR

Vibrations