Geometry & MOs

Info

ID:	203277
PubChem CID:	79807045
Reduced:	FN3C15H22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-28.16
Dipole, Da:	4.94
IP(EA), eV:	-9.0(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

CCCN1C2=C(C(=CC=C2)F)N=C1C(CC)(CC)N

DOS

IR

Vibrations