Geometry & MOs

Info

ID:	275434
PubChem CID:	103815967
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	324.184921
ΔH_f, kcal/mol:	-37.46
Dipole, Da:	4.75
IP(EA), eV:	-8.55(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-fluoro-3-(oxan-3-ylmethylamino)phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NCC2CCCOC2

DOS

IR

Vibrations