Geometry & MOs

Info

ID:	256624
PubChem CID:	103140286
Reduced:	N3O4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	249.092042
ΔH_f, kcal/mol:	-52.68
Dipole, Da:	7.65
IP(EA), eV:	-9.62(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-[(5-methyloxolan-2-yl)methyl]indole

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)NC1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations