Geometry & MOs

Info

ID:	344122
PubChem CID:	127267298
Reduced:	O2N3C17H27 (1)
Stoich.:	A2B3C17D27 (1)
Weight, g/mol:	302.21697
ΔH_f, kcal/mol:	-83.37
Dipole, Da:	6.64
IP(EA), eV:	-8.9(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,2-difluorobutyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2CCN(CC2)CC3=CN=C(O3)C

DOS

IR

Vibrations