Geometry & MOs

Info

ID:	409164
PubChem CID:	135081943
Reduced:	ClO2N6H23C24 (1)
Stoich.:	AB2C6D23E24 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	67.05
Dipole, Da:	5.37
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(1S,2R,3S,4R)-3-isocyanatobicyclo[2.2.1]hept-5-ene-2-carbonyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)C5=NNN=N5)CO)Cl

DOS

IR

Vibrations