Geometry & MOs

Info

ID:	214318
PubChem CID:	84975060
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	414.134635
ΔH_f, kcal/mol:	-91.93
Dipole, Da:	3.77
IP(EA), eV:	-8.44(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3CCCC(C3)C(=O)N

DOS

IR

Vibrations