Geometry & MOs

Info

ID:	289165
PubChem CID:	104338106
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	46.4
Dipole, Da:	2.84
IP(EA), eV:	-9.22(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-N-methyl-6-quinolin-5-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=C1)C2=CC3=C(C=CC=N3)C=C2)COC

DOS

IR

Vibrations