Geometry & MOs

Info

ID:	209778
PubChem CID:	80721390
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	321.095413
ΔH_f, kcal/mol:	-40.71
Dipole, Da:	2.02
IP(EA), eV:	-9.01(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(4-chlorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCC1(CSC(=N1)NC2CC3CCC2O3)C

DOS

IR

Vibrations