Geometry & MOs

Info

ID:	281982
PubChem CID:	103914632
Reduced:	N2O2C13H28 (1)
Stoich.:	A2B2C13D28 (1)
Weight, g/mol:	253.134779
ΔH_f, kcal/mol:	-118.81
Dipole, Da:	1.52
IP(EA), eV:	-8.64(1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-ethylsulfonylpropan-2-ylamino)-1-methoxybutan-2-ol

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NCCC(COC)O

DOS

IR

Vibrations