Geometry & MOs

Info

ID:	9892
PubChem CID:	94517
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-68.86
Dipole, Da:	8.04
IP(EA), eV:	-8.16(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=C3CCCN4C3=C2CCC4

DOS

IR

Vibrations