Geometry & MOs

Info

ID:	375965
PubChem CID:	134221962
Reduced:	NCl2F3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	431.02632
ΔH_f, kcal/mol:	-134.05
Dipole, Da:	4.48
IP(EA), eV:	-9.51(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C(/C=C/C2=CC(=C(C=C2)CN)Cl)C(F)(F)F

DOS

IR

Vibrations