Geometry & MOs

Info

ID:	33780
PubChem CID:	7888079
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-134.74
Dipole, Da:	6.46
IP(EA), eV:	-9.68(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O

DOS

IR

Vibrations