Geometry & MOs

Info

ID:	443074
PubChem CID:	135257603
Reduced:	F2N2O3C19H20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	567.304976
ΔH_f, kcal/mol:	-196.75
Dipole, Da:	4.42
IP(EA), eV:	-9.25(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(4-cyclohexylphenyl)methyl]-2-fluoro-4-methanimidoyl-3-N-tritylbenzene-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations