Geometry & MOs

Info

ID:	289100
PubChem CID:	104335793
Reduced:	OCl2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	355.0087
ΔH_f, kcal/mol:	-1.51
Dipole, Da:	4.97
IP(EA), eV:	-9.35(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-6-chloro-2-(methoxymethyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)N(C)CC2=CC=CC=C2Cl

DOS

IR

Vibrations