Geometry & MOs

Info

ID:	359876
PubChem CID:	127299920
Reduced:	O2N6C17H30 (1)
Stoich.:	A2B6C17D30 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-50.99
Dipole, Da:	7.28
IP(EA), eV:	-8.66(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1CN2CCN(CC2)C(C)C(=O)N3CCOCC3)C

DOS

IR

Vibrations