Geometry & MOs

Info

ID:	335821
PubChem CID:	127254683
Reduced:	N4O7C24H28 (1)
Stoich.:	A4B7C24D28 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	-244.09
Dipole, Da:	10.1
IP(EA), eV:	-8.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC(=C(C=C3)OC)OCC(=O)N)O

DOS

IR

Vibrations