Geometry & MOs

Info

ID:	285129
PubChem CID:	104098281
Reduced:	SN2O3C10H16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	-41.7
Dipole, Da:	6.1
IP(EA), eV:	-9.74(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylcyclopropyl)methyl]-1-(5-nitrothiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

CC(C)[C@@H](CO)NCC1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations