Geometry & MOs

Info

ID:	198400
PubChem CID:	79096696
Reduced:	N2O3H12C14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	337.06774
ΔH_f, kcal/mol:	-52.52
Dipole, Da:	6.25
IP(EA), eV:	-9.13(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C2=NC3=C(N2)C=C(C=C3)C(=O)O

DOS

IR

Vibrations