Geometry & MOs

Info

ID:	202835
PubChem CID:	79732845
Reduced:	N3O4C13H19 (1)
Stoich.:	A3B4C13D19 (1)
Weight, g/mol:	323.97457
ΔH_f, kcal/mol:	-109.98
Dipole, Da:	5.76
IP(EA), eV:	-8.76(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromopyrimidin-2-yl)oxy-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC(CC(=NO)N)N(C)C(=O)C1=CC(=C(C=C1)OC)O

DOS

IR

Vibrations