Geometry & MOs

Info

ID:	448534
PubChem CID:	135291672
Reduced:	O2S2N4C19H36 (1)
Stoich.:	A2B2C4D19E36 (1)
Weight, g/mol:	242.235814
ΔH_f, kcal/mol:	-68.64
Dipole, Da:	2.64
IP(EA), eV:	-8.81(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)-4-propan-2-ylheptyl]azetidin-3-ol

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](CCN1C(=O)C2(CNNN2)C3CCCCCCCC3)OS(=S)C

DOS

IR

Vibrations