Geometry & MOs

Info

ID:	383023
PubChem CID:	134974513
Reduced:	ON2H7C10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	54.55
Dipole, Da:	0.82
IP(EA), eV:	-8.62(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(13,15-dioxa-7-azatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),10,12(16)-trien-2-yl)propan-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CN2C3=CC(=C(C=C3O)N4C=NC5=CC=CC=C54)O

DOS

IR

Vibrations