Geometry & MOs

Info

ID:	52459
PubChem CID:	12015324
Reduced:	ON3H15C19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	315.137162
ΔH_f, kcal/mol:	92.47
Dipole, Da:	2.04
IP(EA), eV:	-9.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-methoxy-12,14-dimethyl-15-azapentacyclo[8.6.0.02,14.03,13.04,9]hexadeca-4,6,8,11,15-pentaene-3,11-dicarbonitrile

Drug info:

PubChemData

Smile

CC12C3C=C(C4C(C1C3(C5=CC=CC=C45)C#N)C(=N2)OC)C#N

DOS

IR

Vibrations