Geometry & MOs

Info

ID:	386994
PubChem CID:	134983637
Reduced:	BO3C24H35 (1)
Stoich.:	AB3C24D35 (1)
Weight, g/mol:	422.199428
ΔH_f, kcal/mol:	-172.99
Dipole, Da:	4.34
IP(EA), eV:	-9.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-methoxyphenyl)-4-phenyl-2,5-dihydropyrrol-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C=C/CC2(C3C4CC5CC3(CC5(C4)C)C=CC2=O)C

DOS

IR

Vibrations