Geometry & MOs

Info

ID:	275906
PubChem CID:	103818965
Reduced:	BrON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	332.155849
ΔH_f, kcal/mol:	9.56
Dipole, Da:	6.71
IP(EA), eV:	-8.58(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)CNC2=C(C(=CC=C2)Br)COC

DOS

IR

Vibrations