Geometry & MOs

Info

ID:	295535
PubChem CID:	117532609
Reduced:	N3O3H11C12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	223.086938
ΔH_f, kcal/mol:	-78.0
Dipole, Da:	6.08
IP(EA), eV:	-10.3(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-fluoro-2-methoxyphenyl)tetrazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=O)N1)C2=CC=NC=C2)C(=O)O

DOS

IR

Vibrations