Geometry & MOs

Info

ID:	449635
PubChem CID:	135300179
Reduced:	ClN2O2C25H27 (1)
Stoich.:	AB2C2D25E27 (1)
Weight, g/mol:	408.151703
ΔH_f, kcal/mol:	-11.77
Dipole, Da:	1.84
IP(EA), eV:	-8.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-chloro-N-[(1S)-1-(2-fluoro-5-pyrimidin-5-ylphenyl)propyl]-1-[2-(methylideneamino)phenyl]prop-1-en-1-amine

Drug info:

PubChemData

Smile

CC(C1=CC=CO1)N/C(=C(/C)\Cl)/C2=C(C=CC(=C2)C3=CC=C(C=C3)C(C)(C)O)N=C

DOS

IR

Vibrations