Geometry & MOs

Info

ID:	420782
PubChem CID:	135114806
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	390.186732
ΔH_f, kcal/mol:	7.66
Dipole, Da:	3.91
IP(EA), eV:	-8.33(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-difluorophenyl)-1-[(1S,5R)-9-[(5-methyl-1H-imidazol-4-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC2=C(CN(C2)C3=NC(=NC4=C3CCCC4)N(C)C)C(=O)N1C

DOS

IR

Vibrations