Geometry & MOs

Info

ID:	422757
PubChem CID:	135118358
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-56.13
Dipole, Da:	6.56
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(6-methoxynaphthalen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCCCO2)NC3=NC(=CN=C3)C(=O)N4CCCC4

DOS

IR

Vibrations