Geometry & MOs

Info

ID:	375442
PubChem CID:	131529710
Reduced:	N2O2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	196.100048
ΔH_f, kcal/mol:	-52.29
Dipole, Da:	3.07
IP(EA), eV:	-9.47(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(1R)-1-aminoethyl]naphthalene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)[C@@H](CCO)N)O)C#N

DOS

IR

Vibrations