Geometry & MOs

Info

ID:	294803
PubChem CID:	117497038
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-43.0
Dipole, Da:	1.75
IP(EA), eV:	-8.82(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-bromo-4-(pyrrolidin-1-ylmethyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCC1=C2C(=C(C=C1C3(CC3)CN)Br)OCCO2

DOS

IR

Vibrations