Geometry & MOs

Info

ID:	395536
PubChem CID:	135025719
Reduced:	INO3H18C24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	26.31
Dipole, Da:	4.19
IP(EA), eV:	-9.35(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15S,19R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1C#CCN(C2=CC=CC=C2)C(=O)C3=CC=CC=C3I

DOS

IR

Vibrations