Geometry & MOs

Info

ID:	355614
PubChem CID:	127289372
Reduced:	ON6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	385.259009
ΔH_f, kcal/mol:	34.2
Dipole, Da:	2.93
IP(EA), eV:	-8.93(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CC(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations