Geometry & MOs

Info

ID:	3647
PubChem CID:	9910
Reduced:	ClN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	365.150619
ΔH_f, kcal/mol:	-58.15
Dipole, Da:	6.71
IP(EA), eV:	-9.28(-1.42)
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;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations