Geometry & MOs

Info

ID:	328317
PubChem CID:	126700677
Reduced:	O2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	265.121512
ΔH_f, kcal/mol:	10.99
Dipole, Da:	4.05
IP(EA), eV:	-8.49(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=C1)OCCCN3C(=N2)C4=CC5=C(C=C4)OC(=N5)C

DOS

IR

Vibrations