Geometry & MOs

Info

ID:	142371
PubChem CID:	53022976
Reduced:	O4N5C19H19 (1)
Stoich.:	A4B5C19D19 (1)
Weight, g/mol:	497.05863
ΔH_f, kcal/mol:	-116.38
Dipole, Da:	5.23
IP(EA), eV:	-8.79(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-bromophenyl)-13-(3,4-dihydroxyphenyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione

Drug info:

PubChemData

Smile

CCC(=O)N1C(C/C(=C/2\C(=O)NC(=O)N(C2=O)C)/N1)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations