Geometry & MOs

Info

ID:	282236
PubChem CID:	103919646
Reduced:	ClFNO2C14H19 (1)
Stoich.:	ABCD2E14F19 (1)
Weight, g/mol:	274.03169
ΔH_f, kcal/mol:	-150.91
Dipole, Da:	5.98
IP(EA), eV:	-9.84(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CC(=O)NCCCCCCO)F

DOS

IR

Vibrations