Geometry & MOs

Info

ID:	209871
PubChem CID:	80732894
Reduced:	ClON4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	269.093104
ΔH_f, kcal/mol:	43.05
Dipole, Da:	3.95
IP(EA), eV:	-9.3(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[(2-hydroxycyclohexyl)amino]-2-methylpyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations