Geometry & MOs

Info

ID:	343545
PubChem CID:	127266718
Reduced:	BrO3N4C12H15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-29.43
Dipole, Da:	6.67
IP(EA), eV:	-9.21(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-6-methyl-N-[2-(2-morpholin-4-ylphenyl)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(=O)NCC1CCN(C1)C2=C(C=C(C=N2)[N+](=O)[O-])Br

DOS

IR

Vibrations