Geometry & MOs

Info

ID:	77185
PubChem CID:	48425899
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	253.153875
ΔH_f, kcal/mol:	-139.54
Dipole, Da:	5.39
IP(EA), eV:	-8.48(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-3-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1CCCCC1C(=O)N2CCC3=CC=CC=C32

DOS

IR

Vibrations