Geometry & MOs

Info

ID:	30672
PubChem CID:	841695
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	252.050339
ΔH_f, kcal/mol:	-53.26
Dipole, Da:	4.18
IP(EA), eV:	-8.82(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,6-triene-5-thione

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC#N

DOS

IR

Vibrations