Geometry & MOs

Info

ID:	20231
PubChem CID:	582761
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	19.34
Dipole, Da:	4.33
IP(EA), eV:	-8.54(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrobutyl)indole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN2CCCC[N+](=O)[O-]

DOS

IR

Vibrations