Geometry & MOs

Info

ID:	120721
PubChem CID:	50742186
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	230.115424
ΔH_f, kcal/mol:	9.56
Dipole, Da:	5.48
IP(EA), eV:	-9.62(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,3-dimethoxy-1-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)/C=C/1\C(C(=O)NC2=CC=CC=C2N1)C3=CC=CC=C3

DOS

IR

Vibrations