Geometry & MOs

Info

ID:	138130
PubChem CID:	52316653
Reduced:	FN3O4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	408.129692
ΔH_f, kcal/mol:	-169.33
Dipole, Da:	5.15
IP(EA), eV:	-9.3(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)[C@H](CNC(=O)NC[C@@H](COC2=CC(=CC=C2)F)O)C3=CC=CO3

DOS

IR

Vibrations