Geometry & MOs

Info

ID:	148103
PubChem CID:	53787765
Reduced:	SN3O4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-20.66
Dipole, Da:	2.93
IP(EA), eV:	-8.65(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-amino-11-ethyl-4-pentyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),6-dien-10-one

Drug info:

PubChemData

Smile

CN1C(C(=O)C2=CC=CC=C2S1)C(=O)NC3=NOC(=C3)COCC4=CC=CC=C4

DOS

IR

Vibrations