Geometry & MOs

Info

ID:	120718
PubChem CID:	50742183
Reduced:	O2N4H34C43 (1)
Stoich.:	A2B4C34D43 (1)
Weight, g/mol:	228.099774
ΔH_f, kcal/mol:	101.5
Dipole, Da:	6.75
IP(EA), eV:	-8.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,3-dimethoxy-1-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(C2=O)NC4=CC=CC(=C4)CC5=CC(=CC=C5)N=C6C7=CC=CC=C7N(C6=O)CC8=CC=CC=C8

DOS

IR

Vibrations