Geometry & MOs

Info

ID:	441837
PubChem CID:	135245663
Reduced:	N2H20C27 (1)
Stoich.:	A2B20C27 (1)
Weight, g/mol:	469.152573
ΔH_f, kcal/mol:	125.6
Dipole, Da:	2.25
IP(EA), eV:	-8.71(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-1,1-difluoro-3-[methyl-[(Z)-(methylideneamino)diazenyl]amino]-1-[5-(2-phenylethynyl)pyridin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=C1)C3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations