Geometry & MOs

Info

ID:	370388
PubChem CID:	127338421
Reduced:	O2F4N4H14C15 (1)
Stoich.:	A2B4C4D14E15 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-195.85
Dipole, Da:	4.17
IP(EA), eV:	-9.73(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,3-dimethyl-N-(oxolan-3-yl)-2-(5-phenyltetrazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CN(C1CCOC1)C(=O)C2=C(N(N=N2)C3=CC(=CC=C3)F)C(F)(F)F

DOS

IR

Vibrations