Geometry & MOs

Info

ID:	234272
PubChem CID:	92298072
Reduced:	O2N3H11C17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	353.112404
ΔH_f, kcal/mol:	59.03
Dipole, Da:	4.13
IP(EA), eV:	-8.77(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13R)-5,7-dimethyl-14-oxa-1,3,5,7,10-pentazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2,4(9),15,17,19-pentaene-6,8,21-trione

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)/C(=C\C3=NC4=CC=CC=C4N3)/C#N

DOS

IR

Vibrations