Geometry & MOs

Info

ID:	26793
PubChem CID:	798405
Reduced:	OSN2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	277.081104
ΔH_f, kcal/mol:	13.95
Dipole, Da:	2.73
IP(EA), eV:	-8.48(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(=O)CSC2=NC3=CC=CC=C3N2)C

DOS

IR

Vibrations