Geometry & MOs

Info

ID:	212684
PubChem CID:	81061485
Reduced:	SN3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	269.12949
ΔH_f, kcal/mol:	2.31
Dipole, Da:	6.35
IP(EA), eV:	-8.47(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-cyclopropyl-N-(2-ethoxyethyl)-N,5-dimethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N2CCC3(CCCC3)CC2

DOS

IR

Vibrations