Geometry & MOs

Info

ID:	375248
PubChem CID:	131481073
Reduced:	ClOSN2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	196.100048
ΔH_f, kcal/mol:	-21.24
Dipole, Da:	1.97
IP(EA), eV:	-9.15(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=CC(=C2Cl)C(CCN)O

DOS

IR

Vibrations