Geometry & MOs

Info

ID:	294976
PubChem CID:	117510226
Reduced:	BrNSC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	328.147473
ΔH_f, kcal/mol:	-7.08
Dipole, Da:	2.13
IP(EA), eV:	-8.75(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)SC1=C(C=C(C=C1)C2(CCCCC2)N)Br

DOS

IR

Vibrations