Geometry & MOs

Info

ID:	355562
PubChem CID:	127289320
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	-85.94
Dipole, Da:	3.03
IP(EA), eV:	-8.89(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCN(CC1)CC2=NC=CN2C)NC(=O)C3CCCC3

DOS

IR

Vibrations