Geometry & MOs

Info

ID:	209818
PubChem CID:	80726481
Reduced:	OCl2N4H8C13 (1)
Stoich.:	AB2C4D8E13 (1)
Weight, g/mol:	264.046569
ΔH_f, kcal/mol:	42.95
Dipole, Da:	1.43
IP(EA), eV:	-9.59(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(3-fluoro-5-methylphenyl)-2-methylpyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)Cl)C=O)NC2=C(C=CC(=C2)C#N)Cl

DOS

IR

Vibrations