Geometry & MOs

Info

ID:	285199
PubChem CID:	104098609
Reduced:	ClSN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	30.39
Dipole, Da:	2.54
IP(EA), eV:	-8.78(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-diethyl-N-[(5-nitrothiophen-2-yl)methyl]oxan-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations