Geometry & MOs

Info

ID:	37662
PubChem CID:	8022891
Reduced:	BrN3O4H12C15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	415.05315
ΔH_f, kcal/mol:	2.11
Dipole, Da:	5.84
IP(EA), eV:	-9.66(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC(=O)N/N=C\C2=CC=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations