Geometry & MOs

Info

ID:	10487
PubChem CID:	102735
Reduced:	ON2C19H26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	298.204513
ΔH_f, kcal/mol:	-19.56
Dipole, Da:	3.96
IP(EA), eV:	-8.81(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-methyl-3-phenylprop-2-enyl)-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)C

DOS

IR

Vibrations