Geometry & MOs

Info

ID:	380133
PubChem CID:	134965095
Reduced:	O2N3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	290.01537
ΔH_f, kcal/mol:	-67.64
Dipole, Da:	6.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755491
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-(2-bromo-7-oxabicyclo[2.2.1]hept-5-en-2-yl)-3-hydroxypropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[N+]1=CCC[C@@H]1CN2C=CN=C2

DOS

IR

Vibrations