Geometry & MOs

Info

ID:	280384
PubChem CID:	103848808
Reduced:	BrNSO3C15H20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	316.04226
ΔH_f, kcal/mol:	-130.42
Dipole, Da:	3.45
IP(EA), eV:	-8.92(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2(CCOC2)O

DOS

IR

Vibrations