Geometry & MOs

Info

ID:	25884
PubChem CID:	632615
Reduced:	BFOH4C6 (3)
Stoich.:	ABCD4E6 (3)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-371.79
Dipole, Da:	2.81
IP(EA), eV:	-9.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(4-aminophenoxy)-3,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

B1(OB(OB(O1)C2=CC(=CC=C2)F)C3=CC(=CC=C3)F)C4=CC(=CC=C4)F

DOS

IR

Vibrations