Geometry & MOs

Info

ID:	437323
PubChem CID:	135223451
Reduced:	ClF2N6H15C18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	9.76
Dipole, Da:	3.0
IP(EA), eV:	-9.01(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyano-4-(1-methylpyridin-4-ylidene)but-2-enoate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=C(N(C=N2)CC(F)F)C3=CN4C(=NC(=C4N)Cl)C=C3

DOS

IR

Vibrations