Geometry & MOs

Info

ID:	272093
PubChem CID:	103723663
Reduced:	SN2O2C18H30 (1)
Stoich.:	AB2C2D18E30 (1)
Weight, g/mol:	326.256943
ΔH_f, kcal/mol:	-109.72
Dipole, Da:	2.81
IP(EA), eV:	-8.9(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1CCCN1C(=O)OC(C)(C)C)NCCC2=CSC=C2

DOS

IR

Vibrations