Geometry & MOs

Info

ID:	320483
PubChem CID:	126661325
Reduced:	ClON2C22H23 (1)
Stoich.:	ABC2D22E23 (1)
Weight, g/mol:	355.205991
ΔH_f, kcal/mol:	4.37
Dipole, Da:	4.95
IP(EA), eV:	-9.78(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-fluoro-2-methyl-3-pyrimidin-5-ylphenyl)-2-methyl-N-(3-methylbutyl)but-2-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)/C(=C/C1=C(C(=CC(=C1)C#N)C2=CC(=CC=C2)Cl)C)/C

DOS

IR

Vibrations