Geometry & MOs

Info

ID:	132672
PubChem CID:	51398243
Reduced:	O5C17H19 (1)
Stoich.:	A5B17C19 (1)
Weight, g/mol:	225.102788
ΔH_f, kcal/mol:	-178.62
Dipole, Da:	4.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764957
Charge, e:	-1

Chem-info

IUPAC name:

4-ethyl-8-methoxy-3-aza-2-azanidatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene

Drug info:

PubChemData

Smile

CC(=O)[C@H]1[C@H](C(=C(C[C@]1(C)O)[O-])C(=O)C)C2=CC=C(C=C2)O

DOS

IR

Vibrations