Geometry & MOs

Info

ID:	289261
PubChem CID:	104342185
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	265.19026
ΔH_f, kcal/mol:	-37.1
Dipole, Da:	5.44
IP(EA), eV:	-8.62(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-6-piperazin-1-yl-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)C1CCCN(CC1)C2=NC(=NC(=C2)NC)COC

DOS

IR

Vibrations