Geometry & MOs

Info

ID:	369234
PubChem CID:	127331551
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	374.211804
ΔH_f, kcal/mol:	-84.24
Dipole, Da:	6.82
IP(EA), eV:	-9.42(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)CN2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations