Geometry & MOs

Info

ID:	438076
PubChem CID:	135227647
Reduced:	SN2H46C67 (1)
Stoich.:	AB2C46D67 (1)
Weight, g/mol:	261.15175
ΔH_f, kcal/mol:	288.77
Dipole, Da:	3.91
IP(EA), eV:	-7.9(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C3=C(S2)C(=CC=C3)N4C5=C(C=C(C=C5)C6=CC=CC(=C6)C7=CC(=CC=C7)N(C8=CC=CC=C8)C9=CC1=C(C=C9)C2=CC=CC=C2C1(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C14

DOS

IR

Vibrations