Geometry & MOs

Info

ID:	369394
PubChem CID:	127333016
Reduced:	O2F4N4H16C17 (1)
Stoich.:	A2B4C4D16E17 (1)
Weight, g/mol:	392.150285
ΔH_f, kcal/mol:	-121.06
Dipole, Da:	5.44
IP(EA), eV:	-9.87(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=C(N(N=N3)C4=CC(=CC=C4)F)C(F)(F)F)O

DOS

IR

Vibrations