Geometry & MOs

Info

ID:	442800
PubChem CID:	135256285
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	280.05751
ΔH_f, kcal/mol:	-64.99
Dipole, Da:	2.1
IP(EA), eV:	-8.56(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=CC(=C3C(=C2)OCCO3)C4=C(C=NN4C)NC1=O)N

DOS

IR

Vibrations