Geometry & MOs

Info

ID:	440711
PubChem CID:	135231076
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	203.092184
ΔH_f, kcal/mol:	-24.4
Dipole, Da:	3.12
IP(EA), eV:	-8.45(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,1-difluoroethyl)-3-fluoro-2-propan-2-ylpyridine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(C)C(=O)C2=CC=C(C=C2)NC(=O)NCC3=CC=NC=C3)C(C)C

DOS

IR

Vibrations