Geometry & MOs

Info

ID:	282395
PubChem CID:	103925149
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	352.98744
ΔH_f, kcal/mol:	-143.62
Dipole, Da:	3.1
IP(EA), eV:	-8.53(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-bromo-2-(trifluoromethyl)benzoyl]-methylamino]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)OCCCCCCO)N

DOS

IR

Vibrations