Geometry & MOs

Info

ID:	30031
PubChem CID:	838997
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	295.092538
ΔH_f, kcal/mol:	-11.73
Dipole, Da:	5.85
IP(EA), eV:	-9.32(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethylsulfanyl-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine

Drug info:

PubChemData

Smile

C1C2(CN3CN1CN(C2)C3)[C@@H](C4=CC=C(C=C4)[N+](=O)[O-])O

DOS

IR

Vibrations