Geometry & MOs

Info

ID:	391992
PubChem CID:	135011777
Reduced:	NPO4C19H24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	311.090606
ΔH_f, kcal/mol:	-167.69
Dipole, Da:	6.2
IP(EA), eV:	-9.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-nitro-1-(2-nitrophenyl)ethyl]-1H-indole

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)ON=C(CCC=C)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations