Geometry & MOs

Info

ID:	184066
PubChem CID:	77105218
Reduced:	BrNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	377.203353
ΔH_f, kcal/mol:	-15.09
Dipole, Da:	5.71
IP(EA), eV:	-8.8(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(112C)methyl 2-[3,4-bis(4-(111C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(311C)propanoate

Drug info:

PubChemData

Smile

[12CH3]OC1=CC=C(C=C1)C2=C(ON=C2C3=CC=C(C=C3)O[12CH3])CBr

DOS

IR

Vibrations