Geometry & MOs

Info

ID:	150033
PubChem CID:	53789718
Reduced:	ClOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	335.97457
ΔH_f, kcal/mol:	-74.45
Dipole, Da:	4.01
IP(EA), eV:	-9.15(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-nitrophenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1(C(C1C(=O)O)C=C(C2=CCCC=C2Cl)Cl)C

DOS

IR

Vibrations