Geometry & MOs

Info

ID:	441958
PubChem CID:	135247127
Reduced:	N2H17C24 (2)
Stoich.:	A2B17C24 (2)
Weight, g/mol:	511.186004
ΔH_f, kcal/mol:	230.75
Dipole, Da:	4.97
IP(EA), eV:	-8.87(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenyl-1,4-dihydropyrimidine

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C#N)C3=C1C=C(C=C3)C4=CC=C(C=C4)C5=C(C6=CC=CC=C6C=C5)CC7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C

DOS

IR

Vibrations