Geometry & MOs

Info

ID:	33032
PubChem CID:	7850421
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	278.101505
ΔH_f, kcal/mol:	-9.6
Dipole, Da:	6.47
IP(EA), eV:	-8.26(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetate

Drug info:

PubChemData

Smile

CCN(CC(=C)C)C(=O)CN1N=C(N=N1)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations