Geometry & MOs

Info

ID:	285157
PubChem CID:	104098408
Reduced:	O2S2N3H11C14 (1)
Stoich.:	A2B2C3D11E14 (1)
Weight, g/mol:	311.049526
ΔH_f, kcal/mol:	85.85
Dipole, Da:	3.68
IP(EA), eV:	-8.93(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-N,1-N-dimethyl-4-N-[(5-nitrothiophen-2-yl)methyl]benzene-1,4-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCC2=CC=C(S2)[N+](=O)[O-])C3=NC=CS3

DOS

IR

Vibrations