Geometry & MOs

Info

ID:	262119
PubChem CID:	103271571
Reduced:	NOC18H29 (1)
Stoich.:	ABC18D29 (1)
Weight, g/mol:	231.165686
ΔH_f, kcal/mol:	-70.9
Dipole, Da:	3.98
IP(EA), eV:	-8.96(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethoxy-3-methylbutan-2-yl)thian-3-amine

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(C)NCC2CCC(C2)O

DOS

IR

Vibrations