Geometry & MOs

Info

ID:	295226
PubChem CID:	117522241
Reduced:	N4O4C11H12 (1)
Stoich.:	A4B4C11D12 (1)
Weight, g/mol:	252.041403
ΔH_f, kcal/mol:	-55.14
Dipole, Da:	5.18
IP(EA), eV:	-9.21(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(4-chlorophenyl)methyl]tetrazol-2-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)C2=NN(N=N2)CC(=O)O

DOS

IR

Vibrations