Geometry & MOs

Info

ID:	289254
PubChem CID:	104341900
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	-40.83
Dipole, Da:	4.06
IP(EA), eV:	-8.73(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(cyclopentylmethyl)-2-(ethoxymethyl)-4-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)COC)N2CCCC(CC2)C

DOS

IR

Vibrations