Geometry & MOs

Info

ID:	374152
PubChem CID:	131324501
Reduced:	SN5C9H13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	202.110613
ΔH_f, kcal/mol:	75.13
Dipole, Da:	4.89
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,2,3,4-tetrahydroquinolin-5-yloxy)propanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C2=NSC(=N2)CCN

DOS

IR

Vibrations