Geometry & MOs

Info

ID:	211012
PubChem CID:	80883805
Reduced:	Br2O2N3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	272.107339
ΔH_f, kcal/mol:	-0.98
Dipole, Da:	2.95
IP(EA), eV:	-9.04(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-amino-5-propylpyrimidin-4-yl)oxy-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1OC2=C(C=C(C(=C2)Br)OC)Br)N

DOS

IR

Vibrations