Geometry & MOs

Info

ID:	388616
PubChem CID:	134989666
Reduced:	NO5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	181.015523
ΔH_f, kcal/mol:	-132.02
Dipole, Da:	7.9
IP(EA), eV:	-9.31(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)pentazole

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC=C2OC)C(=O)NO

DOS

IR

Vibrations