Geometry & MOs

Info

ID:	272155
PubChem CID:	103729062
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	-83.64
Dipole, Da:	6.06
IP(EA), eV:	-8.87(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[(5-cyanothiophen-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCSC1CCCC1NC(=O)NC2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations