Geometry & MOs

Info

ID:	147840
PubChem CID:	53787498
Reduced:	FNOH3C6 (2)
Stoich.:	ABCD3E6 (2)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	-86.14
Dipole, Da:	6.08
IP(EA), eV:	-9.48(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-hydroxy-1-propylpyrrol-3-yl)amino]-1-pentylpyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

C=C1C(=C=O)C(=NC(=O)N1)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations