Geometry & MOs

Info

ID:	319377
PubChem CID:	126655821
Reduced:	NO2H17C19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	-22.74
Dipole, Da:	4.44
IP(EA), eV:	-9.05(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethyl-6-pyrrol-1-yl-2,3-dihydroinden-5-ol

Drug info:

PubChemData

Smile

CC1(CCC2=CC3=C(C=C21)N=C(C(=O)O3)C4=CC=CC=C4)C

DOS

IR

Vibrations