Geometry & MOs

Info

ID:	379778
PubChem CID:	134464850
Reduced:	NOH37C53 (1)
Stoich.:	ABC37D53 (1)
Weight, g/mol:	587.2613
ΔH_f, kcal/mol:	169.35
Dipole, Da:	2.75
IP(EA), eV:	-8.03(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)OC7=C6C=C(C=C7)C8=CC=CC=C8)C9=CC1=CC=CC=C1C1=CC=CC=C19)C

DOS

IR

Vibrations