Geometry & MOs

Info

ID:	437966
PubChem CID:	135227419
Reduced:	N2O2F3H17C21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	416.171162
ΔH_f, kcal/mol:	-164.99
Dipole, Da:	4.26
IP(EA), eV:	-9.19(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-4-ethenylimino-2-methylbut-2-enyl]-N-[[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methyl]formamide

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C3=CC=C(C=C3)C(F)(F)F)OC(N1CC4=CC=NC=C4)O

DOS

IR

Vibrations