Geometry & MOs

Info

ID:	160272
PubChem CID:	57309618
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	433.188923
ΔH_f, kcal/mol:	36.87
Dipole, Da:	4.84
IP(EA), eV:	-7.96(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[carboxy(phenyl)methyl]-1-hexylpyrrole-3-carbonyl]benzoic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(NC3=CC=CC=C32)C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations