Geometry & MOs

Info

ID:	364778
PubChem CID:	127316116
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	43.86
Dipole, Da:	2.55
IP(EA), eV:	-8.98(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCN(CC3)CC4=NC=CN4)NN=C2

DOS

IR

Vibrations