Geometry & MOs

Info

ID:	359846
PubChem CID:	127299890
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	364.258674
ΔH_f, kcal/mol:	-15.53
Dipole, Da:	2.61
IP(EA), eV:	-8.49(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)N2CCN(CC2)CC3=NN(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations