Geometry & MOs

Info

ID:	10446
PubChem CID:	102188
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	282.173213
ΔH_f, kcal/mol:	27.42
Dipole, Da:	3.95
IP(EA), eV:	-8.78(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-phenylprop-2-ynyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1C2CCC1CN(C2)CC#CC3=CC=CC=C3

DOS

IR

Vibrations