Geometry & MOs

Info

ID:	415749
PubChem CID:	135088749
Reduced:	N6O6C29H34 (1)
Stoich.:	A6B6C29D34 (1)
Weight, g/mol:	312.104084
ΔH_f, kcal/mol:	-157.48
Dipole, Da:	6.13
IP(EA), eV:	-9.06(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-5-fluorophenyl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations