Geometry & MOs

Info

ID:	320314
PubChem CID:	126659503
Reduced:	BrON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	453.194008
ΔH_f, kcal/mol:	14.49
Dipole, Da:	2.58
IP(EA), eV:	-8.4(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[3-methyl-4-(2-phenylmethoxyethyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NCOC(=C1N)C2=CC=C(C=C2)Br

DOS

IR

Vibrations