Geometry & MOs

Info

ID:	418495
PubChem CID:	135105245
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	326.144199
ΔH_f, kcal/mol:	-49.09
Dipole, Da:	3.32
IP(EA), eV:	-8.85(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-difluoro-4-methoxyphenyl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC(=C(O1)C)C(=O)N(CC)CC2=NC=CN2C

DOS

IR

Vibrations