Geometry & MOs

Info

ID:	48632
PubChem CID:	11110170
Reduced:	SSeC16H22 (1)
Stoich.:	ABC16D22 (1)
Weight, g/mol:	325.084512
ΔH_f, kcal/mol:	42.15
Dipole, Da:	1.25
IP(EA), eV:	-8.29(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-benzyl-3-chloro-4,4,4-trifluoro-2-phenylbut-2-en-1-amine

Drug info:

PubChemData

Smile

CCCCS/C(=C/C(C=C)C1=CC=CC=C1)/[Se]C

DOS

IR

Vibrations