Geometry & MOs

Info

ID:	265470
PubChem CID:	103523881
Reduced:	BrNO2C16H26 (1)
Stoich.:	ABC2D16E26 (1)
Weight, g/mol:	351.05824
ΔH_f, kcal/mol:	-82.14
Dipole, Da:	1.7
IP(EA), eV:	-8.68(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC(CCC1=C(C(=C(C=C1)OC)Br)OC)NCC

DOS

IR

Vibrations