Geometry & MOs

Info

ID:	198485
PubChem CID:	79107477
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-93.55
Dipole, Da:	3.62
IP(EA), eV:	-8.57(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(1-hydroxyethyl)pyrrol-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CC(C1=CC=CN1CCCC2CCCO2)O

DOS

IR

Vibrations