Geometry & MOs

Info

ID:	48444
PubChem CID:	10584664
Reduced:	O2S2H8C9 (1)
Stoich.:	A2B2C8D9 (1)
Weight, g/mol:	212.131349
ΔH_f, kcal/mol:	6.49
Dipole, Da:	1.42
IP(EA), eV:	-8.32(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(7-methyl-3,4-dihydronaphthalen-2-yl)propanenitrile

Drug info:

PubChemData

Smile

C1C(O1)COC2=CSC3=C2SC=C3

DOS

IR

Vibrations