Geometry & MOs

Info

ID:	280466
PubChem CID:	103849422
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	288.01095
ΔH_f, kcal/mol:	-119.47
Dipole, Da:	4.11
IP(EA), eV:	-9.37(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NCC2(CCOC2)O

DOS

IR

Vibrations