Geometry & MOs

Info

ID:	443780
PubChem CID:	135259980
Reduced:	O2F4N6H20C21 (1)
Stoich.:	A2B4C6D20E21 (1)
Weight, g/mol:	443.136923
ΔH_f, kcal/mol:	-174.43
Dipole, Da:	4.02
IP(EA), eV:	-8.36(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(C=C2)CC(=O)NC3=NN(N=C3)CC4=CC(=C(C=C4)OC(F)(F)F)F

DOS

IR

Vibrations