Geometry & MOs

Info

ID:	376159
PubChem CID:	134222163
Reduced:	NO2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	457.057854
ΔH_f, kcal/mol:	-18.72
Dipole, Da:	2.98
IP(EA), eV:	-9.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-difluoro-N-[5-[(E)-3-(3,4,5-trichlorophenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide

Drug info:

PubChemData

Smile

C=CC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)O

DOS

IR

Vibrations