Geometry & MOs

Info

ID:	289203
PubChem CID:	104339940
Reduced:	ON4C15H26 (1)
Stoich.:	AB4C15D26 (1)
Weight, g/mol:	292.109089
ΔH_f, kcal/mol:	-38.54
Dipole, Da:	4.84
IP(EA), eV:	-8.46(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(3-chlorophenyl)methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1CCCN1C2=NC(=NC(=C2)NCC)COCC

DOS

IR

Vibrations