Geometry & MOs

Info

ID:	419591
PubChem CID:	135108515
Reduced:	FO2N3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-93.42
Dipole, Da:	6.12
IP(EA), eV:	-8.48(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(O1)C(=O)N)CN2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations