Geometry & MOs

Info

ID:	63695
PubChem CID:	26758988
Reduced:	SN2O4H14C19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-14.9
Dipole, Da:	4.36
IP(EA), eV:	-8.95(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC2=CC=CC=C2C=C1C(=O)OCC3=NC(=NO3)C4=CSC=C4

DOS

IR

Vibrations