Geometry & MOs

Info

ID:	419384
PubChem CID:	135108071
Reduced:	ClN3O3C19H26 (1)
Stoich.:	AB3C3D19E26 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-120.24
Dipole, Da:	5.78
IP(EA), eV:	-9.15(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)[C@H]1CN(C[C@@H]1O)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations