Geometry & MOs

Info

ID:	254231
PubChem CID:	103123587
Reduced:	O2N7C12H13 (1)
Stoich.:	A2B7C12D13 (1)
Weight, g/mol:	264.133474
ΔH_f, kcal/mol:	62.39
Dipole, Da:	4.22
IP(EA), eV:	-9.7(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)N1C(=NN=N1)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations