Geometry & MOs

Info

ID:	33816
PubChem CID:	7888251
Reduced:	NO3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	397.152537
ΔH_f, kcal/mol:	-196.73
Dipole, Da:	6.6
IP(EA), eV:	-8.46(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)CN4CCCC4=O

DOS

IR

Vibrations