Geometry & MOs

Info

ID:	416467
PubChem CID:	135089482
Reduced:	ClON4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	314.058883
ΔH_f, kcal/mol:	-15.63
Dipole, Da:	3.93
IP(EA), eV:	-9.07(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)NCC2CCN(CC2)C(=O)C3CC3)Cl

DOS

IR

Vibrations