Geometry & MOs

Info

ID:	374120
PubChem CID:	131323965
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	202.110613
ΔH_f, kcal/mol:	-0.47
Dipole, Da:	4.98
IP(EA), eV:	-8.44(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetonitrile

Drug info:

PubChemData

Smile

CC(C#N)C1=C(C2=C(C=C1)N(CC2)C)O

DOS

IR

Vibrations