Geometry & MOs

Info

ID:	272575
PubChem CID:	103748274
Reduced:	N2O2C17H32 (1)
Stoich.:	A2B2C17D32 (1)
Weight, g/mol:	249.155121
ΔH_f, kcal/mol:	-120.27
Dipole, Da:	3.04
IP(EA), eV:	-8.83(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-methylpropyl)phenyl]methyl]thiolan-3-amine

Drug info:

PubChemData

Smile

CC1CCCC1NCCCN(C2CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations