Geometry & MOs

Info

ID:	28439
PubChem CID:	827598
Reduced:	ON3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	339.089543
ΔH_f, kcal/mol:	44.69
Dipole, Da:	3.71
IP(EA), eV:	-8.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(4-methylbenzoyl)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations