Geometry & MOs

Info

ID:	380468
PubChem CID:	134970924
Reduced:	NO7C18H23 (1)
Stoich.:	AB7C18D23 (1)
Weight, g/mol:	342.107894
ΔH_f, kcal/mol:	-267.91
Dipole, Da:	4.22
IP(EA), eV:	-9.88(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-acetyl-2-methylidene-5-oxo-3-[4-(trifluoromethyl)phenyl]hexanoate

Drug info:

PubChemData

Smile

CC1[C@@H](C(C([C@@H](O1)OC)O)OCCCN2C(=O)C3=CC=CC=C3C2=O)O

DOS

IR

Vibrations