Geometry & MOs

Info

ID:	197764
PubChem CID:	78994223
Reduced:	SN2O2C10H16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	329.06266
ΔH_f, kcal/mol:	-70.92
Dipole, Da:	1.79
IP(EA), eV:	-9.38(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(5-bromo-2-methoxyphenyl)methylamino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CNCC1=CSC=N1

DOS

IR

Vibrations