Geometry & MOs

Info

ID:	326508
PubChem CID:	126687693
Reduced:	INOC15H30 (1)
Stoich.:	ABCD15E30 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-96.34
Dipole, Da:	3.32
IP(EA), eV:	-9.17(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(4-ethylpyridin-2-yl)-2-propan-2-ylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC(C)(CC)CC(C(=O)NI)C(C)(CC)CC

DOS

IR

Vibrations