Geometry & MOs

Info

ID:	64691
PubChem CID:	29203862
Reduced:	NO2C24H25 (1)
Stoich.:	AB2C24D25 (1)
Weight, g/mol:	424.199822
ΔH_f, kcal/mol:	-24.73
Dipole, Da:	4.91
IP(EA), eV:	-9.1(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(5-tert-butyl-2-methoxyphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations