Geometry & MOs

Info

ID:	173253
PubChem CID:	75611640
Reduced:	ClO2F3N3C22H25 (1)
Stoich.:	AB2C3D3E22F25 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-234.87
Dipole, Da:	3.66
IP(EA), eV:	-9.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-decoxy-N-(pyridin-3-ylmethylideneamino)benzamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)C12CC3CC(C1)CC(C3)C2)CC(=O)NC4=C(C=CC=C4Cl)C(F)(F)F

DOS

IR

Vibrations