Geometry & MOs

Info

ID:	135429
PubChem CID:	51870215
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-187.72
Dipole, Da:	5.7
IP(EA), eV:	-8.92(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C

DOS

IR

Vibrations