Geometry & MOs

Info

ID:	204327
PubChem CID:	79947923
Reduced:	SN5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	231.165686
ΔH_f, kcal/mol:	69.97
Dipole, Da:	7.79
IP(EA), eV:	-8.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxy-2-methylpropyl)-4,4-dimethylthian-3-amine

Drug info:

PubChemData

Smile

CC1(CCSCC1NC2=CN=C(C=C2)N3C=NC=N3)C

DOS

IR

Vibrations