Geometry & MOs

Info

ID:	188092
PubChem CID:	77668169
Reduced:	BrN3O6H28C32 (1)
Stoich.:	AB3C6D28E32 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-118.62
Dipole, Da:	4.74
IP(EA), eV:	-8.66(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-hydroxy-3-(methylamino)phenoxy]-3,5-dimethylphenyl]-1,2,4-triazinane-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)OC)Br)C)N3C(=O)NC(=O)C(N3)C(=O)OCC4=CC=CC=C4C5=CC=CC=C5

DOS

IR

Vibrations