Geometry & MOs

Info

ID:	359847
PubChem CID:	127299891
Reduced:	ON3C9H16 (2)
Stoich.:	AB3C9D16 (2)
Weight, g/mol:	384.227374
ΔH_f, kcal/mol:	-52.69
Dipole, Da:	7.24
IP(EA), eV:	-8.66(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)CN2CCN(CC2)C(C)C(=O)N3CCOCC3

DOS

IR

Vibrations