Geometry & MOs

Info

ID:	317802
PubChem CID:	126645805
Reduced:	N2O6H14C19 (1)
Stoich.:	A2B6C14D19 (1)
Weight, g/mol:	440.086303
ΔH_f, kcal/mol:	-179.5
Dipole, Da:	6.96
IP(EA), eV:	-9.42(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-4-[[methyl-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3C(=O)NC4=C(O3)C=CC(=C4)C(=O)O

DOS

IR

Vibrations