Geometry & MOs

Info

ID:	285151
PubChem CID:	104098379
Reduced:	SO2N4H12C14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	95.18
Dipole, Da:	5.61
IP(EA), eV:	-8.93(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-methyl-N-[(5-nitrothiophen-2-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=CC=N2)NCC3=CC=C(S3)[N+](=O)[O-]

DOS

IR

Vibrations