Geometry & MOs

Info

ID:	274113
PubChem CID:	103807133
Reduced:	N2O2F3C11H19 (1)
Stoich.:	A2B2C3D11E19 (1)
Weight, g/mol:	392.01524
ΔH_f, kcal/mol:	-254.08
Dipole, Da:	7.94
IP(EA), eV:	-9.41(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-chloro-2-iodophenyl)methanone

Drug info:

PubChemData

Smile

CC1CCCN(C1CN)C(=O)COCC(F)(F)F

DOS

IR

Vibrations