Geometry & MOs

Info

ID:	284825
PubChem CID:	104072943
Reduced:	NSO2C12H21 (1)
Stoich.:	ABC2D12E21 (1)
Weight, g/mol:	294.067428
ΔH_f, kcal/mol:	-69.82
Dipole, Da:	3.04
IP(EA), eV:	-8.4(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[5-[(2-nitrophenyl)sulfinylmethyl]furan-2-yl]methanamine

Drug info:

PubChemData

Smile

CCNCC1=CC=C(O1)CS(=O)C(C)(C)C

DOS

IR

Vibrations