Geometry & MOs

Info

ID:	364806
PubChem CID:	127316147
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-38.02
Dipole, Da:	5.66
IP(EA), eV:	-8.96(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzoylpiperidin-3-yl)-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2(CCCC2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations