Geometry & MOs

Info

ID:	411596
PubChem CID:	135084428
Reduced:	FO2H11C15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	-70.76
Dipole, Da:	4.51
IP(EA), eV:	-9.49(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(2-bromophenyl)-N-(oxan-4-yl)carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=C(C=CC(=C2)F)C(=O)O

DOS

IR

Vibrations