Geometry & MOs

Info

ID:	158787
PubChem CID:	56475047
Reduced:	NOC13H17 (2)
Stoich.:	ABC13D17 (2)
Weight, g/mol:	402.09543
ΔH_f, kcal/mol:	-86.6
Dipole, Da:	2.87
IP(EA), eV:	-9.3(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(5-bromo-2-fluorophenyl)methyl-ethylamino]-2-oxoethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C)(C)CNC(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C

DOS

IR

Vibrations