Geometry & MOs

Info

ID:	384513
PubChem CID:	134977134
Reduced:	NSSiO7C43H55 (1)
Stoich.:	ABCD7E43F55 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	-174.19
Dipole, Da:	6.94
IP(EA), eV:	-8.86(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-(diethylamino)phenyl]ethynyl]-2-nitrophenol

Drug info:

PubChemData

Smile

CCC[C@@H](CC#CCC#CCCCC12OCC(CO1)(OO2)C)N(CCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)S(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations