Geometry & MOs

Info

ID:	370387
PubChem CID:	127338420
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	358.105288
ΔH_f, kcal/mol:	-98.19
Dipole, Da:	1.52
IP(EA), eV:	-9.47(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-N-methyl-N-(oxolan-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2C(CCC(=O)N2C)C(=O)N(C)C3CCOC3

DOS

IR

Vibrations