Geometry & MOs

Info

ID:	273734
PubChem CID:	103799450
Reduced:	BrNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	309.033477
ΔH_f, kcal/mol:	-99.76
Dipole, Da:	4.4
IP(EA), eV:	-9.65(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-5-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1(CC1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations