Geometry & MOs

Info

ID:	207297
PubChem CID:	80373896
Reduced:	O3N5C11H13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	278.110294
ΔH_f, kcal/mol:	-10.82
Dipole, Da:	5.66
IP(EA), eV:	-8.13(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2=NNN=N2)OC)OC

DOS

IR

Vibrations