Geometry & MOs

Info

ID:	297628
PubChem CID:	117624237
Reduced:	N4O5H14C16 (1)
Stoich.:	A4B5C14D16 (1)
Weight, g/mol:	394.24427
ΔH_f, kcal/mol:	-58.69
Dipole, Da:	5.13
IP(EA), eV:	-8.41(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dihexylthiophen-2-yl)-2-(1H-pyrrol-2-yl)pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=CC=C(C3=NON=C23)NC(=O)COCC(=O)O

DOS

IR

Vibrations