Geometry & MOs

Info

ID:	414349
PubChem CID:	135087305
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	481.268905
ΔH_f, kcal/mol:	-59.34
Dipole, Da:	3.74
IP(EA), eV:	-9.19(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methoxy-11-oxa-4,15,16,17,23-pentazapentacyclo[21.2.2.21,4.16,10.115,18]hentriaconta-6(29),7,9,16,18(28)-pentaene-5,22-dione

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CC4=CC(=C(C=C4)O)Cl

DOS

IR

Vibrations