Geometry & MOs

Info

ID:	341048
PubChem CID:	127263483
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	266.98074
ΔH_f, kcal/mol:	-98.38
Dipole, Da:	3.69
IP(EA), eV:	-8.87(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CCOC(C1)OCC2=CC=C(C=C2)NC(=O)NN

DOS

IR

Vibrations