Geometry & MOs

Info

ID:	289234
PubChem CID:	104341309
Reduced:	ON4C16H30 (1)
Stoich.:	AB4C16D30 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	-56.8
Dipole, Da:	3.89
IP(EA), eV:	-8.72(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-hexan-3-yl-2-(methoxymethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCC(CC)NC1=NC(=NC(=C1)NCCC)COCC

DOS

IR

Vibrations