Geometry & MOs

Info

ID:	417500
PubChem CID:	135095796
Reduced:	ClFON4C16H20 (1)
Stoich.:	ABCD4E16F20 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-51.39
Dipole, Da:	3.4
IP(EA), eV:	-8.72(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations