Geometry & MOs

Info

ID:	228017
PubChem CID:	87563233
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	240.016251
ΔH_f, kcal/mol:	-113.07
Dipole, Da:	4.37
IP(EA), eV:	-8.72(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-chloropyrimidin-5-yl)tetrazol-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)CCN(C#N)C(=O)OC(C)(C)C

DOS

IR

Vibrations