Geometry & MOs

Info

ID:	284827
PubChem CID:	104073290
Reduced:	OSN4C12H18 (1)
Stoich.:	ABC4D12E18 (1)
Weight, g/mol:	303.165686
ΔH_f, kcal/mol:	22.01
Dipole, Da:	4.07
IP(EA), eV:	-9.02(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CC=C(O1)CSC2=NC=NN2

DOS

IR

Vibrations