Geometry & MOs

Info

ID:	202930
PubChem CID:	79747727
Reduced:	BrN2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	253.157898
ΔH_f, kcal/mol:	45.94
Dipole, Da:	2.13
IP(EA), eV:	-8.99(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-3-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine

Drug info:

PubChemData

Smile

CCNC(C1CCC2=C1N=CC=C2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations