Geometry & MOs

Info

ID:	195488
PubChem CID:	78693830
Reduced:	NF3O4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	393.118793
ΔH_f, kcal/mol:	-284.98
Dipole, Da:	3.28
IP(EA), eV:	-9.02(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-[4-(trifluoromethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCNC(=O)COC(=O)C=CC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations