Geometry & MOs

Info

ID:	336500
PubChem CID:	127255507
Reduced:	SN3C7H15 (1)
Stoich.:	AB3C7D15 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	6.29
Dipole, Da:	2.28
IP(EA), eV:	-9.0(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,2,3,4-tetrahydroquinolin-6-yl)propanal

Drug info:

PubChemData

Smile

C1CCNC(C1)CSC(=N)N

DOS

IR

Vibrations