Geometry & MOs

Info

ID:	434027
PubChem CID:	135174180
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	402.191898
ΔH_f, kcal/mol:	73.96
Dipole, Da:	1.25
IP(EA), eV:	-9.08(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)/C=C/C2=CC(=CN=C2)C#N)CNCC3CCNC3

DOS

IR

Vibrations