Geometry & MOs

Info

ID:	255983
PubChem CID:	103136055
Reduced:	BrClN2H12C16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	186.125594
ΔH_f, kcal/mol:	70.2
Dipole, Da:	2.97
IP(EA), eV:	-9.25(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-(5-methyloxolan-2-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=C(C=CC(=C3)Br)Cl)N

DOS

IR

Vibrations