Geometry & MOs

Info

ID:	51468
PubChem CID:	12014138
Reduced:	O2N3H25C26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	171.068414
ΔH_f, kcal/mol:	8.77
Dipole, Da:	2.9
IP(EA), eV:	-8.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isocyanato-1,4-dihydronaphthalene

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C31)C(C(=O)N2)(N(CCNC4=CC=CC=C4)C5=CC=CC=C5)O

DOS

IR

Vibrations