Geometry & MOs

Info

ID:	287694
PubChem CID:	104252109
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	277.171165
ΔH_f, kcal/mol:	-40.1
Dipole, Da:	3.72
IP(EA), eV:	-8.76(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-methylsulfonyl-1-(oxan-2-yl)pentan-2-amine

Drug info:

PubChemData

Smile

CCNC(CC1CCCCO1)C2=C(C=CN=C2N)C

DOS

IR

Vibrations