Geometry & MOs

Info

ID:	196694
PubChem CID:	78865957
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	304.172168
ΔH_f, kcal/mol:	-44.35
Dipole, Da:	2.91
IP(EA), eV:	-8.86(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-diethyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)propane-1,2-diamine

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OC(=C2)C(=O)NCCN3CCC4=CC=CC=C4C3

DOS

IR

Vibrations