Geometry & MOs

Info

ID:	421057
PubChem CID:	135115297
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	15.99
Dipole, Da:	2.07
IP(EA), eV:	-8.21(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)N2CCC(CC2)C3=NC4=CC=CC=C4N3C)C(=O)N

DOS

IR

Vibrations