Geometry & MOs

Info

ID:	221191
PubChem CID:	85257193
Reduced:	ON6H14C15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	294.183109
ΔH_f, kcal/mol:	100.88
Dipole, Da:	4.36
IP(EA), eV:	-9.14(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4a,5-dimethyl-4-oxo-1,5,6,7,8,8a-hexahydronaphthalen-2-yl)oxy]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NCC=NNC2=NN3C=CN=C3C=C2

DOS

IR

Vibrations