Geometry & MOs

Info

ID:	391181
PubChem CID:	135003394
Reduced:	N2O2C27H28 (1)
Stoich.:	A2B2C27D28 (1)
Weight, g/mol:	358.144319
ΔH_f, kcal/mol:	-7.31
Dipole, Da:	5.29
IP(EA), eV:	-8.53(0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-2-(4-methylphenyl)-3-phenyl-1,3-oxazol-3-ium-5-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=C)C2CN(C(=O)N2C3=CC=CC=C3)CC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations