Geometry & MOs

Info

ID:	419998
PubChem CID:	135110671
Reduced:	FNO3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	273.122575
ΔH_f, kcal/mol:	-143.86
Dipole, Da:	5.62
IP(EA), eV:	-9.02(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(=O)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC

DOS

IR

Vibrations