Geometry & MOs

Info

ID:	274900
PubChem CID:	103812402
Reduced:	FON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	238.204513
ΔH_f, kcal/mol:	-58.71
Dipole, Da:	4.88
IP(EA), eV:	-8.89(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone

Drug info:

PubChemData

Smile

CC1(CC1)CNC(=O)C2=CC(=C(C=C2)F)N

DOS

IR

Vibrations