Geometry & MOs

Info

ID:	216508
PubChem CID:	85086338
Reduced:	BrO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	-149.6
Dipole, Da:	4.04
IP(EA), eV:	-10.15(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-methoxyphenyl)-2-oxo-4-prop-2-enylazetidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1(OC2CC3CC(C(=O)C3C2O1)Br)C

DOS

IR

Vibrations