Geometry & MOs

Info

ID:	159761
PubChem CID:	57288722
Reduced:	N2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	389.160263
ΔH_f, kcal/mol:	-137.83
Dipole, Da:	4.38
IP(EA), eV:	-9.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-3-imino-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CCCCC(=O)N(C)N=CC1C2CCC(C1CC3=CC=C(C=C3)C(=O)O)O2

DOS

IR

Vibrations