Geometry & MOs

Info

ID:	366517
PubChem CID:	127320033
Reduced:	O2N5C21H35 (1)
Stoich.:	A2B5C21D35 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-87.19
Dipole, Da:	6.06
IP(EA), eV:	-9.05(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-imidazol-1-yl-5-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC=CN1CCC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

DOS

IR

Vibrations