Geometry & MOs

Info

ID:	281482
PubChem CID:	103913935
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	263.155515
ΔH_f, kcal/mol:	-69.59
Dipole, Da:	3.11
IP(EA), eV:	-8.92(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,1-dioxothian-3-yl)amino]-3-ethylpentan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(C)NCCCCCCO)C

DOS

IR

Vibrations