Geometry & MOs

Info

ID:	82731
PubChem CID:	49856416
Reduced:	F3O3N4C24H25 (1)
Stoich.:	A3B3C4D24E25 (1)
Weight, g/mol:	399.10848
ΔH_f, kcal/mol:	-209.39
Dipole, Da:	3.81
IP(EA), eV:	-8.13(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-(2-chloroethyl)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(O1)C2=C(C=C(C=C2)N3CCN(CC3)C(=O)NCC4=CC=C(C=C4)C(F)(F)F)OC

DOS

IR

Vibrations