Geometry & MOs

Info

ID:	374735
PubChem CID:	131342571
Reduced:	ClN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	208.100048
ΔH_f, kcal/mol:	-28.49
Dipole, Da:	3.26
IP(EA), eV:	-9.15(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-1-aminoprop-2-enyl]naphthalene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C(CN)C#N)Cl)OCO2

DOS

IR

Vibrations