Geometry & MOs

Info

ID:	416731
PubChem CID:	135090184
Reduced:	ClON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-6.92
Dipole, Da:	1.55
IP(EA), eV:	-8.67(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3)Cl

DOS

IR

Vibrations