Geometry & MOs

Info

ID:	422679
PubChem CID:	135118235
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-74.96
Dipole, Da:	3.59
IP(EA), eV:	-8.49(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CCC2(CC1)C3=C(CCO2)C4=CC=CC=C4N3

DOS

IR

Vibrations