Geometry & MOs

Info

ID:	31811
PubChem CID:	3719520
Reduced:	BrNO6H22C23 (1)
Stoich.:	ABC6D22E23 (1)
Weight, g/mol:	433.143784
ΔH_f, kcal/mol:	-160.94
Dipole, Da:	4.64
IP(EA), eV:	-8.61(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-5-(4-methoxyphenoxy)pyrimidin-4-yl]-5-[(4-fluorophenyl)methoxy]phenol

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2CCO)OC4=C(C3=O)C=C(C=C4)Br)OC

DOS

IR

Vibrations