Geometry & MOs

Info

ID:	416359
PubChem CID:	135089372
Reduced:	N2O2C19H26 (1)
Stoich.:	A2B2C19D26 (1)
Weight, g/mol:	359.114903
ΔH_f, kcal/mol:	-72.82
Dipole, Da:	4.64
IP(EA), eV:	-8.89(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCN1C[C@H]([C@@H](C1)O)CC2=CC=NC3=CC=CC=C23)O

DOS

IR

Vibrations