Geometry & MOs

Info

ID:	442801
PubChem CID:	135256287
Reduced:	BrN2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	280.05751
ΔH_f, kcal/mol:	24.45
Dipole, Da:	2.14
IP(EA), eV:	-9.49(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-5,6,7,8-tetrahydroquinolin-2-yl)but-3-en-1-amine

Drug info:

PubChemData

Smile

C=CC[C@@H](C1=NC2=C(CCCC2)C(=C1)Br)N

DOS

IR

Vibrations