Geometry & MOs

Info

ID:	210164
PubChem CID:	80769172
Reduced:	ClON4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	222.184447
ΔH_f, kcal/mol:	-0.19
Dipole, Da:	2.68
IP(EA), eV:	-8.16(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-6-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C(=N1)NC2=CC=C(C=C2)OCC)Cl

DOS

IR

Vibrations