Geometry & MOs

Info

ID:	328740
PubChem CID:	126727097
Reduced:	NSO2H23C34 (1)
Stoich.:	ABC2D23E34 (1)
Weight, g/mol:	182.094294
ΔH_f, kcal/mol:	85.26
Dipole, Da:	3.87
IP(EA), eV:	-8.36(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C31)C(=O)/C(=C\C4=CC=C(S4)N(C5=CC=CC=C5)C6=CC=CC7=CC=CC=C76)/C2=O

DOS

IR

Vibrations