Geometry & MOs

Info

ID:	375913
PubChem CID:	134221909
Reduced:	FNO5C32H38 (1)
Stoich.:	ABC5D32E38 (1)
Weight, g/mol:	405.207963
ΔH_f, kcal/mol:	-211.94
Dipole, Da:	4.2
IP(EA), eV:	-8.32(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C=C1C)N(CC2)C(=O)C3=C(C(=C(C=C3)OC)OC)OC)C4=CC(=CC(=C4C)CCCOC)F

DOS

IR

Vibrations