Geometry & MOs

Info

ID:	296901
PubChem CID:	117600148
Reduced:	BrN2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	51.97
Dipole, Da:	4.63
IP(EA), eV:	-8.54(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-(4-methoxyphenyl)-2-methyloxirane-2-carboxylate

Drug info:

PubChemData

Smile

CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)N

DOS

IR

Vibrations