Geometry & MOs

Info

ID:	129112
PubChem CID:	51070950
Reduced:	O2F3N5H18C22 (1)
Stoich.:	A2B3C5D18E22 (1)
Weight, g/mol:	456.202463
ΔH_f, kcal/mol:	-108.15
Dipole, Da:	8.06
IP(EA), eV:	-9.4(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-[3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F)C4=NN=C(O4)C

DOS

IR

Vibrations