Geometry & MOs

Info

ID:	360179
PubChem CID:	127300820
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	350.243024
ΔH_f, kcal/mol:	-73.3
Dipole, Da:	4.72
IP(EA), eV:	-8.51(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N(C)C2CCN(CC2)C(=O)C3=C(C4=C(CC(O4)(C)C)C=C3)O

DOS

IR

Vibrations