Geometry & MOs

Info

ID:	439404
PubChem CID:	135229178
Reduced:	BrOSN2C9H13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	375.22704
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	7.31
IP(EA), eV:	-8.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,4-dimethoxypyridin-2-yl)methoxy]-4-N-heptan-4-ylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCSCC1=C(N=C(N1C)Br)C(=C)O

DOS

IR

Vibrations