Geometry & MOs

Info

ID:	376513
PubChem CID:	134222530
Reduced:	ClFO3N6H28C34 (1)
Stoich.:	ABC3D6E28F34 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-12.12
Dipole, Da:	6.92
IP(EA), eV:	-9.01(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-decyl-3,5-dinitrobenzene

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4[C@@H](C[C@@H]5C4C5)C(=O)NC6=CC=CC(=C6F)C7=CC=CC=C7Cl

DOS

IR

Vibrations