Geometry & MOs

Info

ID:	443014
PubChem CID:	135257410
Reduced:	F3N4H39C46 (1)
Stoich.:	A3B4C39D46 (1)
Weight, g/mol:	598.309647
ΔH_f, kcal/mol:	-4.32
Dipole, Da:	5.66
IP(EA), eV:	-7.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-(1-ethyl-2-phenyl-1,3-diazinan-5-yl)phenyl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

CN1CCCC2C1NCCC2C3=CC=C(C=C3)N4C5=CC=CC=C5C6=CC7=C(C=C64)N(C8=C7C=C(C=C8)C9=CC=CC=C9C(F)(F)F)C1=CC=CC=C1

DOS

IR

Vibrations