Geometry & MOs

Info

ID:	421556
PubChem CID:	135116201
Reduced:	O4N5C21H31 (1)
Stoich.:	A4B5C21D31 (1)
Weight, g/mol:	326.144199
ΔH_f, kcal/mol:	-169.1
Dipole, Da:	2.36
IP(EA), eV:	-9.68(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-difluoro-6-methoxyphenyl)-[(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)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)C2=CC=NC=C2)C(C)C

DOS

IR

Vibrations