Geometry & MOs

Info

ID:	441963
PubChem CID:	135247169
Reduced:	NH27C30 (1)
Stoich.:	AB27C30 (1)
Weight, g/mol:	532.149953
ΔH_f, kcal/mol:	113.13
Dipole, Da:	4.05
IP(EA), eV:	-8.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-(4-cyclohexa-1,3-dien-5-yn-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC=C(C=C2)/C(=C/C=C)/C=C/3\CC4=C(C3(C)C)C(=CC=C4)C#N

DOS

IR

Vibrations