Geometry & MOs

Info

ID:	143580
PubChem CID:	53229699
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	157.089149
ΔH_f, kcal/mol:	-68.17
Dipole, Da:	3.14
IP(EA), eV:	-9.36(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-isocyano-1,2,3,4-tetrahydronaphthalene

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=CC(=O)C=CN3

DOS

IR

Vibrations