Geometry & MOs

Info

ID:	285107
PubChem CID:	104098214
Reduced:	SN2O3C10H16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	-41.55
Dipole, Da:	7.02
IP(EA), eV:	-9.52(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations