Geometry & MOs

Info

ID:	364795
PubChem CID:	127316136
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	367.167811
ΔH_f, kcal/mol:	-30.77
Dipole, Da:	6.6
IP(EA), eV:	-8.97(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations