Geometry & MOs

Info

ID:	422707
PubChem CID:	135118282
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	399.219178
ΔH_f, kcal/mol:	74.87
Dipole, Da:	3.81
IP(EA), eV:	-9.19(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-N-[[(1S,5S,6R,7R)-3-[2-(dimethylamino)acetyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations