Geometry & MOs

Info

ID:	277168
PubChem CID:	103827123
Reduced:	FN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	285.03644
ΔH_f, kcal/mol:	-85.3
Dipole, Da:	5.18
IP(EA), eV:	-8.97(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentan-2-yl 5-amino-2-bromobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1)NC(=O)C2=C(C=C(C=C2)OC)F)C

DOS

IR

Vibrations