Geometry & MOs

Info

ID:	317696
PubChem CID:	126645200
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	407.120524
ΔH_f, kcal/mol:	-98.38
Dipole, Da:	1.43
IP(EA), eV:	-8.06(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[methyl-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]amino]methyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC1=CC2=C(C=C1)N(CC(O2)(C)C)C3=CC=CC(=C3)N4CC(C4)C(=O)OC

DOS

IR

Vibrations