Geometry & MOs

Info

ID:	433627
PubChem CID:	135173767
Reduced:	BrO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	304.02113
ΔH_f, kcal/mol:	1.7
Dipole, Da:	5.38
IP(EA), eV:	-8.38(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2-methylphenyl)-5-ethenyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)C2=NC3=C(O2)CN(C3)C(=C)CN(C)C[C@H](C)C(=O)C

DOS

IR

Vibrations