Geometry & MOs

Info

ID:	314819
PubChem CID:	126623488
Reduced:	BrN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-25.73
Dipole, Da:	2.79
IP(EA), eV:	-8.86(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)Br)NC2=O

DOS

IR

Vibrations