Geometry & MOs

Info

ID:	393920
PubChem CID:	135021959
Reduced:	ON4C24H26 (1)
Stoich.:	AB4C24D26 (1)
Weight, g/mol:	214.09938
ΔH_f, kcal/mol:	48.4
Dipole, Da:	7.86
IP(EA), eV:	-8.06(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10S,14R)-4-oxatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),2(6),7-trien-12-one

Drug info:

PubChemData

Smile

CC1=CC2=C(N1CC3=CC=C(C=C3)OC)C=CC4=C2C(=C(N4)CCCNC)C#N

DOS

IR

Vibrations