Geometry & MOs

Info

ID:	355925
PubChem CID:	127290777
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-96.15
Dipole, Da:	2.47
IP(EA), eV:	-8.67(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2CCCN2C(=O)CN3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations