Geometry & MOs

Info

ID:	33774
PubChem CID:	7888048
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-159.76
Dipole, Da:	6.85
IP(EA), eV:	-9.43(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-tert-butylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CO3

DOS

IR

Vibrations