Geometry & MOs

Info

ID:	120887
PubChem CID:	50748666
Reduced:	SO3N5H15C18 (1)
Stoich.:	AB3C5D15E18 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	31.81
Dipole, Da:	9.98
IP(EA), eV:	-8.42(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(4-ethylanilino)methyl]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C/C(=C\3/NOC(=N3)CCC(=O)NC4=NC=CS4)/C(=O)N=C2C=C1

DOS

IR

Vibrations