Geometry & MOs

Info

ID:	391642
PubChem CID:	135007658
Reduced:	BrNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-54.08
Dipole, Da:	4.31
IP(EA), eV:	-8.98(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethoxyethyl)-2-methyl-4-[1-(5-methylfuran-2-yl)ethyl]pyrrole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC=C1C2=CC=CC=C2Br)C

DOS

IR

Vibrations