Geometry & MOs

Info

ID:	277717
PubChem CID:	103830552
Reduced:	BrFNO3H13C15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	342.05791
ΔH_f, kcal/mol:	-120.6
Dipole, Da:	5.09
IP(EA), eV:	-8.59(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)Br)O)F

DOS

IR

Vibrations