Geometry & MOs

Info

ID:	176131
PubChem CID:	76000226
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	17.85
Dipole, Da:	4.17
IP(EA), eV:	-8.52(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[butyl(methyl)amino]propyl]-2-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,11-trien-10-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2C(NNC2NC3=CC=CC=C3)N

DOS

IR

Vibrations