Geometry & MOs

Info

ID:	33798
PubChem CID:	7888164
Reduced:	BrNO4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	412.163436
ΔH_f, kcal/mol:	-122.43
Dipole, Da:	2.72
IP(EA), eV:	-9.03(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)Br

DOS

IR

Vibrations