Geometry & MOs

Info

ID:	433222
PubChem CID:	135173359
Reduced:	NO4H13C14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-87.96
Dipole, Da:	7.26
IP(EA), eV:	-9.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S)-5,6-dimethoxy-1,7,9-triazatetracyclo[9.8.0.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaen-2-one

Drug info:

PubChemData

Smile

C1C(OC=C(C1=O)OCC2=CC=C(C=C2)C#N)CO

DOS

IR

Vibrations