Geometry & MOs

Info

ID:	379919
PubChem CID:	134964218
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-110.56
Dipole, Da:	4.97
IP(EA), eV:	-8.33(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-nitrophenyl)-3-(1H-pyrrol-2-yl)propan-1-ol

Drug info:

PubChemData

Smile

CN1CCCC2=CC(=C(C=C21)C(=O)OC)O

DOS

IR

Vibrations