Geometry & MOs

Info

ID:	434049
PubChem CID:	135174202
Reduced:	SC12H20 (1)
Stoich.:	AB12C20 (1)
Weight, g/mol:	371.160932
ΔH_f, kcal/mol:	-32.44
Dipole, Da:	2.23
IP(EA), eV:	-8.14(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-[3-[(azetidin-3-ylmethylamino)methyl]phenyl]ethenyl]-3-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1CCCC(=C2CCCCC2)S1

DOS

IR

Vibrations