Geometry & MOs

Info

ID:	273848
PubChem CID:	103805361
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	358.05421
ΔH_f, kcal/mol:	-35.57
Dipole, Da:	3.51
IP(EA), eV:	-9.21(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(aminomethyl)piperidin-1-yl]-(2-iodo-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCC(CC2)CN

DOS

IR

Vibrations