Geometry & MOs

Info

ID:	285130
PubChem CID:	104098282
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	243.067762
ΔH_f, kcal/mol:	25.96
Dipole, Da:	6.55
IP(EA), eV:	-9.55(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-methyl-2-[(5-nitrothiophen-2-yl)methylamino]propanamide

Drug info:

PubChemData

Smile

CCC1(CC1)CNCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations