Geometry & MOs

Info

ID:	197067
PubChem CID:	78917638
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	360.02958
ΔH_f, kcal/mol:	36.07
Dipole, Da:	2.89
IP(EA), eV:	-8.46(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine

Drug info:

PubChemData

Smile

CNC(C1=CC=C(C=C1)OC)C2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations