Geometry & MOs

Info

ID:	154289
PubChem CID:	56313701
Reduced:	BrO3N5H14C18 (1)
Stoich.:	AB3C5D14E18 (1)
Weight, g/mol:	459.06569
ΔH_f, kcal/mol:	-9.66
Dipole, Da:	3.09
IP(EA), eV:	-9.36(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromophenyl)methyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations