Geometry & MOs

Info

ID:	210157
PubChem CID:	80768986
Reduced:	ClN4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	290.129824
ΔH_f, kcal/mol:	31.58
Dipole, Da:	4.53
IP(EA), eV:	-8.63(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-chloro-4-methylphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NC=NC(=C2C(C)C)NC)Cl

DOS

IR

Vibrations