Geometry & MOs

Info

ID:	443222
PubChem CID:	135258166
Reduced:	ClFON4C23H26 (1)
Stoich.:	ABCD4E23F26 (1)
Weight, g/mol:	431.141197
ΔH_f, kcal/mol:	38.42
Dipole, Da:	1.88
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1Z,3Z)-1-(5-chloro-2-fluorophenyl)-5-methoxy-4,5-dimethyl-1-(methylideneamino)hexa-1,3-dien-3-yl]amino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)CC1CN(CCC1(C2=CC=CC(=C2)C#N)N=O)CCC3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations