Geometry & MOs

Info

ID:	129722
PubChem CID:	51073639
Reduced:	NO2F4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	-287.09
Dipole, Da:	5.79
IP(EA), eV:	-9.33(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(phenoxymethyl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC=C(C=C1)F)(C(F)(F)F)O

DOS

IR

Vibrations