Geometry & MOs

Info

ID:	197069
PubChem CID:	78917640
Reduced:	SN3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	296.13472
ΔH_f, kcal/mol:	74.92
Dipole, Da:	2.23
IP(EA), eV:	-8.85(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylthiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=CC2=NC=CN=C2C=C1)C3=C(C=CS3)C

DOS

IR

Vibrations