Geometry & MOs

Info

ID:	209864
PubChem CID:	80732871
Reduced:	ClON4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	290.093439
ΔH_f, kcal/mol:	-11.06
Dipole, Da:	8.02
IP(EA), eV:	-9.1(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[ethyl(pyridin-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CCN1CCCC1CN(C)C2=C(C(=NC(=N2)C)Cl)C=O

DOS

IR

Vibrations