Geometry & MOs

Info

ID:	211405
PubChem CID:	80944909
Reduced:	ClN4C13H21 (1)
Stoich.:	AB4C13D21 (1)
Weight, g/mol:	247.087625
ΔH_f, kcal/mol:	9.16
Dipole, Da:	4.41
IP(EA), eV:	-8.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-ethyl-N-(3-methylphenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C2=CC(=NC(=N2)CC)Cl

DOS

IR

Vibrations