Geometry & MOs

Info

ID:	49375
PubChem CID:	11532937
Reduced:	Br2F2N4H14C17 (1)
Stoich.:	A2B2C4D14E17 (1)
Weight, g/mol:	471.148032
ΔH_f, kcal/mol:	6.19
Dipole, Da:	5.03
IP(EA), eV:	-8.36(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-tert-butylphenyl)-4-chloro-3-[(3-chloropyridin-2-yl)-(2-methoxyethyl)amino]benzamide

Drug info:

PubChemData

Smile

C1C/C(=N\NC2=C(C=C(C=C2)F)Br)/C(=N\NC3=C(C=C(C=C3)F)Br)/C1

DOS

IR

Vibrations