Geometry & MOs

Info

ID:	85087
PubChem CID:	49871685
Reduced:	NO4H11C16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	305.126323
ΔH_f, kcal/mol:	-42.25
Dipole, Da:	6.85
IP(EA), eV:	-9.1(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-2-[3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ynyl]benzene

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)C2=[N+](C3=CC=CC=C3C2=O)[O-]

DOS

IR

Vibrations