Geometry & MOs

Info

ID:	364780
PubChem CID:	127316118
Reduced:	ON6C19H28 (1)
Stoich.:	AB6C19D28 (1)
Weight, g/mol:	383.199111
ΔH_f, kcal/mol:	29.17
Dipole, Da:	4.66
IP(EA), eV:	-8.87(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-(1-propylsulfonylpiperidin-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=CC(=N1)C(=O)N2CCN(CC2)CC3=NC=CN3)C4CC4

DOS

IR

Vibrations