Geometry & MOs

Info

ID:	243074
PubChem CID:	99215404
Reduced:	FN6C24H25 (1)
Stoich.:	AB6C24D25 (1)
Weight, g/mol:	422.04773
ΔH_f, kcal/mol:	89.34
Dipole, Da:	9.0
IP(EA), eV:	-8.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC=C(C=C2)CNC3=NN4C(=NN=C4C5=CC=CC=C5F)C=C3

DOS

IR

Vibrations