Geometry & MOs

Info

ID:	426245
PubChem CID:	135142926
Reduced:	SO2N6C20H24 (1)
Stoich.:	AB2C6D20E24 (1)
Weight, g/mol:	255.148396
ΔH_f, kcal/mol:	19.75
Dipole, Da:	4.5
IP(EA), eV:	-8.88(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)prop-1-en-2-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC(C1)C2=NC3=CN=C4C(=C3N2C5CCC(CC5)CC#N)C=CN4

DOS

IR

Vibrations