Geometry & MOs

Info

ID:	171864
PubChem CID:	75435167
Reduced:	ON4C20H28 (1)
Stoich.:	AB4C20D28 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-20.5
Dipole, Da:	0.84
IP(EA), eV:	-8.48(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-nitrophenyl)-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)C3CCCN(C3)C(=O)C4CCCN(C4)C

DOS

IR

Vibrations