Geometry & MOs

Info

ID:	444887
PubChem CID:	135263825
Reduced:	BrNOF3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	485.21147
ΔH_f, kcal/mol:	-177.69
Dipole, Da:	4.64
IP(EA), eV:	-9.73(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(6-fluoro-1-methylbenzimidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1CN(CC2=C1C=CC(=C2)Br)C(=O)C(F)(F)F

DOS

IR

Vibrations