Geometry & MOs

Info

ID:	196911
PubChem CID:	78894616
Reduced:	FO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	403.049047
ΔH_f, kcal/mol:	-55.14
Dipole, Da:	2.48
IP(EA), eV:	-9.22(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chloro-2-nitrophenoxy)phenyl]-N-[(6-chloropyridin-3-yl)methyl]methanamine

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2C1NC(=O)NC3=C(C=C(C=C3)F)C#N

DOS

IR

Vibrations