Geometry & MOs

Info

ID:	231490
PubChem CID:	87573889
Reduced:	INC12H12 (1)
Stoich.:	ABC12D12 (1)
Weight, g/mol:	264.954856
ΔH_f, kcal/mol:	87.6
Dipole, Da:	1.82
IP(EA), eV:	-8.86(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C#CCC1(CCC2=CC=CC=C21)NI

DOS

IR

Vibrations