Geometry & MOs

Info

ID:	151637
PubChem CID:	56242105
Reduced:	ClOF4N5H18C21 (1)
Stoich.:	ABC4D5E18F21 (1)
Weight, g/mol:	422.136588
ΔH_f, kcal/mol:	-142.28
Dipole, Da:	4.24
IP(EA), eV:	-8.34(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]-5-(trifluoromethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(N(N=N3)C4=CC=C(C=C4)F)C(F)(F)F)Cl

DOS

IR

Vibrations