Geometry & MOs

Info

ID:	423263
PubChem CID:	135119208
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	439.221954
ΔH_f, kcal/mol:	-79.04
Dipole, Da:	5.9
IP(EA), eV:	-9.15(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methoxy-12-oxa-4,15,16,17,22-pentazapentacyclo[20.3.1.11,4.115,18.06,11]octacosa-6(11),7,9,16,18(27)-pentaene-5,21-dione

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=CN=C4C=CC=CN4C3=O)OCC1

DOS

IR

Vibrations