Geometry & MOs

Info

ID:	210156
PubChem CID:	80768985
Reduced:	N4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	290.129824
ΔH_f, kcal/mol:	84.72
Dipole, Da:	1.43
IP(EA), eV:	-8.55(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-chloro-4-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC=CC=C2NC3=NC(=NC=C3)N

DOS

IR

Vibrations