Geometry & MOs

Info

ID:	174024
PubChem CID:	75713190
Reduced:	NOC16H18 (2)
Stoich.:	ABC16D18 (2)
Weight, g/mol:	511.268236
ΔH_f, kcal/mol:	-26.38
Dipole, Da:	6.34
IP(EA), eV:	-9.22(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(C(=O)NC2CCCCC2)N(C)C(=O)C(=CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations