Geometry & MOs

Info

ID:	157439
PubChem CID:	56424142
Reduced:	F3N3O3C22H22 (1)
Stoich.:	A3B3C3D22E22 (1)
Weight, g/mol:	402.166746
ΔH_f, kcal/mol:	-187.61
Dipole, Da:	3.46
IP(EA), eV:	-9.34(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)COC2=CC=C(C=C2)C(=O)NCC(C)(C)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations