Geometry & MOs

Info

ID:	159792
PubChem CID:	57288755
Reduced:	N3O5C15H29 (1)
Stoich.:	A3B5C15D29 (1)
Weight, g/mol:	403.043435
ΔH_f, kcal/mol:	-225.92
Dipole, Da:	3.97
IP(EA), eV:	-9.44(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]-2-methoxy-2-nitropropan-1-one

Drug info:

PubChemData

Smile

CCC[C@H]([C@@H](C(=O)N(C)O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC

DOS

IR

Vibrations