Geometry & MOs

Info

ID:	214151
PubChem CID:	81087079
Reduced:	BrON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	280.160935
ΔH_f, kcal/mol:	-15.3
Dipole, Da:	2.68
IP(EA), eV:	-9.41(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC(CC(=O)N(CC1=CC=CC=C1Br)C2CC2)CN

DOS

IR

Vibrations