Geometry & MOs

Info

ID:	77035
PubChem CID:	48425734
Reduced:	N3O3C16H29 (1)
Stoich.:	A3B3C16D29 (1)
Weight, g/mol:	253.153875
ΔH_f, kcal/mol:	-171.09
Dipole, Da:	5.13
IP(EA), eV:	-9.06(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1CCCN(C1)C(=O)C(C)C

DOS

IR

Vibrations