Geometry & MOs

Info

ID:	252840
PubChem CID:	103114513
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	306.067428
ΔH_f, kcal/mol:	-59.86
Dipole, Da:	3.81
IP(EA), eV:	-9.39(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2-methyl-3-nitrophenyl)methylamino]methyl]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1(CC(CCO1)NCC2=C(C(=CC=C2)[N+](=O)[O-])C)C

DOS

IR

Vibrations