Geometry & MOs

Info

ID:	58794
PubChem CID:	24714871
Reduced:	NSO2C13H23 (1)
Stoich.:	ABC2D13E23 (1)
Weight, g/mol:	269.181336
ΔH_f, kcal/mol:	-90.66
Dipole, Da:	3.31
IP(EA), eV:	-8.76(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN(CCOC)CC(C)(C)O

DOS

IR

Vibrations