Geometry & MOs

Info

ID:	3648
PubChem CID:	9911
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-16.64
Dipole, Da:	8.22
IP(EA), eV:	-9.1(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(3-nitrophenyl)prop-2-enyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CC2CC1CN(C2)CC=CC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations