Geometry & MOs

Info

ID:	259795
PubChem CID:	103174640
Reduced:	ClON5H12C13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	293.112404
ΔH_f, kcal/mol:	71.64
Dipole, Da:	5.18
IP(EA), eV:	-9.95(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3,4-dimethoxypyridin-2-yl)methyl]tetrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)OC2=CC(=NC3=NC=NN23)Cl

DOS

IR

Vibrations