Geometry & MOs

Info

ID:	209125
PubChem CID:	80627692
Reduced:	NSC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	231.165686
ΔH_f, kcal/mol:	-19.06
Dipole, Da:	3.78
IP(EA), eV:	-8.26(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-propan-2-yloxy-1-(thiolan-2-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(C1CCCCS1)C2=CC(=CC(=C2)C)C

DOS

IR

Vibrations