Geometry & MOs

Info

ID:	151649
PubChem CID:	56260960
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	442.106431
ΔH_f, kcal/mol:	-73.54
Dipole, Da:	3.37
IP(EA), eV:	-8.87(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

C#CCOC1=CC=C(C=C1)CCNC(=O)COC2=CC=C(C=C2)CC(=O)N

DOS

IR

Vibrations