Geometry & MOs

Info

ID:	379767
PubChem CID:	134464829
Reduced:	NH41C54 (1)
Stoich.:	AB41C54 (1)
Weight, g/mol:	567.256215
ΔH_f, kcal/mol:	175.89
Dipole, Da:	0.66
IP(EA), eV:	-7.94(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methoxyphenyl)phenyl]phenanthren-9-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C6=C(C5(C)C)C=C(C=C6)C7=CC=CC8=CC=CC=C87)C9=CC1=CC=CC=C1C1=CC=CC=C19)C

DOS

IR

Vibrations