Geometry & MOs

Info

ID:	384136
PubChem CID:	134976406
Reduced:	NOSC22H23 (1)
Stoich.:	ABCD22E23 (1)
Weight, g/mol:	898.12312
ΔH_f, kcal/mol:	12.82
Dipole, Da:	3.88
IP(EA), eV:	-9.18(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)N=C4C5=CC=CC=C5C(O4)C6=CC=CS6

DOS

IR

Vibrations