Geometry & MOs

Info

ID:	174026
PubChem CID:	75713320
Reduced:	NO2C10H13 (3)
Stoich.:	AB2C10D13 (3)
Weight, g/mol:	511.268236
ΔH_f, kcal/mol:	-221.69
Dipole, Da:	5.13
IP(EA), eV:	-8.24(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(butylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-methylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C(C1=CC(=C(C=C1)OC)OC)C(=O)NC2CCCCC2)C(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations