Geometry & MOs

Info

ID:	435618
PubChem CID:	135191957
Reduced:	NO6C15H17 (1)
Stoich.:	AB6C15D17 (1)
Weight, g/mol:	413.125467
ΔH_f, kcal/mol:	-169.79
Dipole, Da:	6.95
IP(EA), eV:	-10.66(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-N-[(2R)-1-(3-chloro-2-formamidophenoxy)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CC1C(=O)OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations