Geometry & MOs

Info

ID:	359875
PubChem CID:	127299919
Reduced:	O3N4C21H38 (1)
Stoich.:	A3B4C21D38 (1)
Weight, g/mol:	350.243024
ΔH_f, kcal/mol:	-156.8
Dipole, Da:	4.7
IP(EA), eV:	-8.68(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCC1CCCCC1)N2CCN(CC2)C(C)C(=O)N3CCOCC3

DOS

IR

Vibrations