Geometry & MOs

Info

ID:	197132
PubChem CID:	78927147
Reduced:	N2O2C11H20 (1)
Stoich.:	A2B2C11D20 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	-87.06
Dipole, Da:	1.77
IP(EA), eV:	-9.66(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CCC#N)C(=O)CCCOCC

DOS

IR

Vibrations