Geometry & MOs

Info

ID:	309962
PubChem CID:	126570905
Reduced:	NSH8C12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	223.1361
ΔH_f, kcal/mol:	114.27
Dipole, Da:	0.92
IP(EA), eV:	-8.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(4,4-dimethylspiro[2H-naphthalene-3,1'-cyclopropane]-1-ylidene)acetonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2)C=CC4C3SC5=C(S4)C6=C(C=C5)NC7=CC=CC=C76

DOS

IR

Vibrations