Geometry & MOs

Info

ID:	309093
PubChem CID:	126536728
Reduced:	OSF3N5C25H32 (1)
Stoich.:	ABC3D5E25F32 (1)
Weight, g/mol:	539.236148
ΔH_f, kcal/mol:	-156.9
Dipole, Da:	5.24
IP(EA), eV:	-8.3(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9,9-dimethylfluoren-4-yl)-4-(4-isoquinolin-1-yl-3-methylphenyl)quinazoline

Drug info:

PubChemData

Smile

CCCCC(CC1=CNC2=CC=CC=C21)NC(=O)C3=CN=C(S3)N4CCN(CC(C4)C(F)(F)F)C

DOS

IR

Vibrations