Geometry & MOs

Info

ID:	183102
PubChem CID:	76979649
Reduced:	BrNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	279.127072
ΔH_f, kcal/mol:	-94.13
Dipole, Da:	5.04
IP(EA), eV:	-8.92(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C2=C(C=CC(=C2)Br)C=CC(=O)O

DOS

IR

Vibrations