Geometry & MOs

Info

ID:	367675
PubChem CID:	127325383
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	399.238273
ΔH_f, kcal/mol:	-109.78
Dipole, Da:	5.46
IP(EA), eV:	-8.86(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one

Drug info:

PubChemData

Smile

CN1C(C(CCC1=O)C(=O)N2CCN3CCCC3C2)C4=CC=C(C=C4)OC

DOS

IR

Vibrations