Geometry & MOs

Info

ID:	449614
PubChem CID:	135300061
Reduced:	ClSN4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	301.27695
ΔH_f, kcal/mol:	112.69
Dipole, Da:	3.91
IP(EA), eV:	-8.63(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-cyclobutylethyl)-6-ethylcyclohexa-1,5-dien-1-yl]-cyclohexylmethanamine

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NCC(=N)N2C(=N)C)C3=CC=C(C=C3)Cl)C#CC4CCCC4

DOS

IR

Vibrations