Geometry & MOs

Info

ID:	209862
PubChem CID:	80732682
Reduced:	ClION3H9C12 (1)
Stoich.:	ABCD3E9F12 (1)
Weight, g/mol:	307.069924
ΔH_f, kcal/mol:	36.73
Dipole, Da:	2.81
IP(EA), eV:	-9.27(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)Cl)C=O)NC2=CC=CC=C2I

DOS

IR

Vibrations