Geometry & MOs

Info

ID:	31755
PubChem CID:	3714463
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	307.124215
ΔH_f, kcal/mol:	43.44
Dipole, Da:	7.55
IP(EA), eV:	-8.86(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=NN=NN2C3CCCC3)N4CCN(CC4)C5=CC=CC=C5OC

DOS

IR

Vibrations