Geometry & MOs

Info

ID:	403796
PubChem CID:	135061924
Reduced:	N2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	359.188529
ΔH_f, kcal/mol:	-69.62
Dipole, Da:	6.0
IP(EA), eV:	-8.59(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-5-methyl-4-oxa-14-azatetracyclo[12.4.0.02,6.08,13]octadeca-2,5,8,10,12-pentaene

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(N1C)C(=O)C=C(N2)C3=CC=CC=C3

DOS

IR

Vibrations