Geometry & MOs

Info

ID:	328373
PubChem CID:	126701229
Reduced:	O3C7H11 (2)
Stoich.:	A3B7C11 (2)
Weight, g/mol:	547.10192
ΔH_f, kcal/mol:	-278.86
Dipole, Da:	5.43
IP(EA), eV:	-10.3(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-[3-fluoro-4-[1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]phenyl]-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene

Drug info:

PubChemData

Smile

CC(=O)C(C)(CO)COC(=O)/C=C/C(=O)OC(C)(C)C

DOS

IR

Vibrations