Geometry & MOs

Info

ID:	379787
PubChem CID:	134464886
Reduced:	NH37C48 (1)
Stoich.:	AB37C48 (1)
Weight, g/mol:	638.272199
ΔH_f, kcal/mol:	159.61
Dipole, Da:	2.22
IP(EA), eV:	-7.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenanthren-9-ylanilino)phenyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=CC=CC=C5C6=CC=CC=C64)C7=CC8=C(C=C7)C9=CC=CC=C9C8(C)C

DOS

IR

Vibrations