Geometry & MOs

Info

ID:	320319
PubChem CID:	126659508
Reduced:	BrON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	480.204907
ΔH_f, kcal/mol:	42.56
Dipole, Da:	3.77
IP(EA), eV:	-8.88(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1NC)C2=CC=C(C=C2)Br

DOS

IR

Vibrations