Geometry & MOs

Info

ID:	33806
PubChem CID:	7888213
Reduced:	N2O5C22H24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-169.81
Dipole, Da:	6.47
IP(EA), eV:	-8.92(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O

DOS

IR

Vibrations