Geometry & MOs

Info

ID:	11778
PubChem CID:	120913
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-11.79
Dipole, Da:	2.86
IP(EA), eV:	-8.01(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations