Geometry & MOs

Info

ID:	151523
PubChem CID:	53837756
Reduced:	NO2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	516.356323
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	2.87
IP(EA), eV:	-9.54(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(2-propylpentyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C=C1C(=O)CC(=O)N1

DOS

IR

Vibrations