Geometry & MOs

Info

ID:	210256
PubChem CID:	80781808
Reduced:	SN3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	51.71
Dipole, Da:	2.31
IP(EA), eV:	-8.15(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-ethyl-5-nitro-3-N-(1-thiophen-2-ylethyl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=CC=C1)N(C)CC2=CC=CS2

DOS

IR

Vibrations