Geometry & MOs

Info

ID:	272108
PubChem CID:	103724132
Reduced:	NOC9H16 (2)
Stoich.:	ABC9D16 (2)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-124.68
Dipole, Da:	3.55
IP(EA), eV:	-9.08(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(4-cyanothiophen-2-yl)methylamino]ethyl]-N-ethylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCCC1C2CCCC2NCC=C

DOS

IR

Vibrations