Geometry & MOs

Info

ID:	420284
PubChem CID:	135112243
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-23.55
Dipole, Da:	5.65
IP(EA), eV:	-9.23(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C(=CC=C2)C(=O)N3CCCC4(C3)CCC5=CN=C(N=C45)C

DOS

IR

Vibrations