Geometry & MOs

Info

ID:	12018
PubChem CID:	125981
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-54.23
Dipole, Da:	8.05
IP(EA), eV:	-8.76(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6,11(15)-tetraen-14-one

Drug info:

PubChemData

Smile

CC1C2=C(CCC3N2CCC4=CC=CC=C34)C(=O)O1

DOS

IR

Vibrations