Geometry & MOs

Info

ID:	324480
PubChem CID:	126677741
Reduced:	N3F5C14H14 (1)
Stoich.:	A3B5C14D14 (1)
Weight, g/mol:	427.262363
ΔH_f, kcal/mol:	-205.77
Dipole, Da:	2.59
IP(EA), eV:	-8.91(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-butoxyphenyl)methyl]-2,6-bis(2,5-dimethylpyrrol-1-yl)pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C=N2)CCCC(C(F)(F)F)(F)F

DOS

IR

Vibrations