Geometry & MOs

Info

ID:	370392
PubChem CID:	127338435
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	358.105288
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	4.2
IP(EA), eV:	-9.28(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CCOC1)C(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations