Geometry & MOs

Info

ID:	441077
PubChem CID:	135233018
Reduced:	ClF3O3N4C32H32 (1)
Stoich.:	AB3C3D4E32F32 (1)
Weight, g/mol:	393.24565
ΔH_f, kcal/mol:	-212.35
Dipole, Da:	8.3
IP(EA), eV:	-8.98(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-tert-butyl-2-ethynyl-3-phenylphenyl)-N-[1-(2-methylphenyl)ethyl]ethanimine

Drug info:

PubChemData

Smile

C1CC(C(C=C1)[C@@H](C(=O)NC2CC(C2)(F)F)N(C3=CC(=CC=C3)F)C(=O)[C@@H]4CCC(N4C5=NC=CC6=CC=CC=C65)O)Cl

DOS

IR

Vibrations