Geometry & MOs

Info

ID:	376164
PubChem CID:	134222169
Reduced:	BrNO3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	483.072817
ΔH_f, kcal/mol:	-69.39
Dipole, Da:	2.76
IP(EA), eV:	-9.64(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]-2-(6-methyl-1,3,4-triazabicyclo[3.2.0]hept-2-en-4-yl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C(C=C(C=C3)CO)Br

DOS

IR

Vibrations