Geometry & MOs

Info

ID:	66367
PubChem CID:	46504455
Reduced:	N3O5C29H31 (1)
Stoich.:	A3B5C29D31 (1)
Weight, g/mol:	467.242021
ΔH_f, kcal/mol:	-134.75
Dipole, Da:	5.42
IP(EA), eV:	-9.04(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)OC)C(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations