Geometry & MOs

Info

ID:	186399
PubChem CID:	77427058
Reduced:	N2O5C28H36 (1)
Stoich.:	A2B5C28D36 (1)
Weight, g/mol:	303.124627
ΔH_f, kcal/mol:	-207.9
Dipole, Da:	6.02
IP(EA), eV:	-9.65(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylmethylamino)-3-[3-fluoro-4-(trifluoromethyl)phenyl]butan-2-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(C)(C)N2CCOC2=O)N3CCC(OC3=O)(CC(C)(C)O)C4=CC=CC=C4

DOS

IR

Vibrations