Geometry & MOs

Info

ID:	30976
PubChem CID:	854025
Reduced:	OC2H4 (3)
Stoich.:	AB2C4 (3)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	-154.78
Dipole, Da:	4.16
IP(EA), eV:	-10.58(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O)O

DOS

IR

Vibrations