Geometry & MOs

Info

ID:	289211
PubChem CID:	104340575
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	350.07422
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	2.25
IP(EA), eV:	-8.9(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-(3-bromophenyl)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)NC(C)C2=CC=C(C=C2)C)N

DOS

IR

Vibrations