Geometry & MOs

Info

ID:	310649
PubChem CID:	126584096
Reduced:	N3O4H15C17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-40.88
Dipole, Da:	1.62
IP(EA), eV:	-9.33(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,2,5-trimethyl-4-nitroindol-3-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=CC(=C2N1)[N+](=O)[O-])C3=CC=NC=C3)CCC(=O)O

DOS

IR

Vibrations