Geometry & MOs

Info

ID:	364797
PubChem CID:	127316138
Reduced:	OSN5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	21.22
Dipole, Da:	4.72
IP(EA), eV:	-8.59(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=CN2)C(=O)C(C3=CC=CC=C3)N4CCSCC4

DOS

IR

Vibrations