Geometry & MOs

Info

ID:	272089
PubChem CID:	103723587
Reduced:	SN2O2C18H30 (1)
Stoich.:	AB2C2D18E30 (1)
Weight, g/mol:	313.236542
ΔH_f, kcal/mol:	-111.45
Dipole, Da:	3.05
IP(EA), eV:	-9.06(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-(2-acetamidoethylamino)propyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(CC1CCCN1C(=O)OC(C)(C)C)NC(C)C2=CC=CS2

DOS

IR

Vibrations