Geometry & MOs

Info

ID:	298985
PubChem CID:	117665373
Reduced:	BrOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	504.266045
ΔH_f, kcal/mol:	-88.18
Dipole, Da:	3.23
IP(EA), eV:	-9.92(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-3-(2,6-difluoro-3-methoxy-5-propylphenyl)-1-methyl-8-[2-(4-methylpiperazin-1-yl)ethoxy]-4H-pyrido[4,3-d]pyrimidin-2-one

Drug info:

PubChemData

Smile

C[C@]1(CCCC(=O)C1)CCCCCBr

DOS

IR

Vibrations