Geometry & MOs

Info

ID:	284822
PubChem CID:	104072389
Reduced:	N2O3H12C14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	305.14495
ΔH_f, kcal/mol:	-53.13
Dipole, Da:	1.12
IP(EA), eV:	-9.37(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(3-methylphenyl)methylsulfinylmethyl]furan-2-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=CC=C(O3)CO

DOS

IR

Vibrations