Geometry & MOs

Info

ID:	247181
PubChem CID:	103068534
Reduced:	OSN4C12H22 (1)
Stoich.:	ABC4D12E22 (1)
Weight, g/mol:	227.134385
ΔH_f, kcal/mol:	-16.79
Dipole, Da:	5.12
IP(EA), eV:	-8.73(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(oxan-4-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCCNCC(=C)CSC1=NNC(=O)N1C(C)C

DOS

IR

Vibrations