Geometry & MOs

Info

ID:	323899
PubChem CID:	126676478
Reduced:	ClFNO2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	277.132746
ΔH_f, kcal/mol:	-77.35
Dipole, Da:	6.58
IP(EA), eV:	-9.32(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC(C)OC1=CC(=C(C=C1)F)C2=C(C=C(C(=C2)C#N)Cl)O

DOS

IR

Vibrations