Geometry & MOs

Info

ID:	207284
PubChem CID:	80372608
Reduced:	NF2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	252.104482
ΔH_f, kcal/mol:	-207.57
Dipole, Da:	4.03
IP(EA), eV:	-10.06(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-methyl-N-(thiolan-3-yl)-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)O)C(=O)CC1=CC(=C(C=C1)F)F

DOS

IR

Vibrations