Geometry & MOs

Info

ID:	416264
PubChem CID:	135089276
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	308.129156
ΔH_f, kcal/mol:	-89.66
Dipole, Da:	7.62
IP(EA), eV:	-9.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C=CC(=CC1=O)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NNC(=C3)C

DOS

IR

Vibrations