Geometry & MOs

Info

ID:	23992
PubChem CID:	607343
Reduced:	NOH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	211.099714
ΔH_f, kcal/mol:	40.23
Dipole, Da:	4.67
IP(EA), eV:	-8.61(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-isocyanoethyl)-6-methoxynaphthalene

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)[N+]#[C-]

DOS

IR

Vibrations