Geometry & MOs

Info

ID:	433470
PubChem CID:	135173607
Reduced:	INO2C9H18 (1)
Stoich.:	ABC2D9E18 (1)
Weight, g/mol:	247.196986
ΔH_f, kcal/mol:	-68.61
Dipole, Da:	3.6
IP(EA), eV:	-9.6(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-[3-[(2-methylpropan-2-yl)oxy]propylsulfanyl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(COC/C=C\COCCN)I

DOS

IR

Vibrations