Geometry & MOs

Info

ID:	204439
PubChem CID:	79966184
Reduced:	N2O2S2C11H16 (1)
Stoich.:	A2B2C2D11E16 (1)
Weight, g/mol:	245.127192
ΔH_f, kcal/mol:	-30.88
Dipole, Da:	4.04
IP(EA), eV:	-8.91(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dithian-2-yl)-3-methyl-N-propylbut-3-en-1-amine

Drug info:

PubChemData

Smile

CCCC(=O)CC1=NC(=NO1)C2CSCCS2

DOS

IR

Vibrations