Geometry & MOs

Info

ID:	391009
PubChem CID:	135002216
Reduced:	N2O7C26H32 (1)
Stoich.:	A2B7C26D32 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	-291.14
Dipole, Da:	2.51
IP(EA), eV:	-9.38(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(3-nitrophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(C(=O)NCC(=O)OC)OC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations