Geometry & MOs

Info

ID:	127489
PubChem CID:	51003543
Reduced:	O4C27H34 (1)
Stoich.:	A4B27C34 (1)
Weight, g/mol:	268.142307
ΔH_f, kcal/mol:	-124.94
Dipole, Da:	4.15
IP(EA), eV:	-9.21(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,5R)-5-ethoxy-1,2-dimethyl-3-oxo-N-prop-2-enyl-7-oxa-2-azabicyclo[2.2.1]heptane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C=C(C1=O)C/C=C(\C)/CC/C=C(\C)/C[C@@H]2C=C(C(=O)O2)CCC=C(C)C

DOS

IR

Vibrations