Geometry & MOs

Info

ID:	38296
PubChem CID:	8029539
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-39.16
Dipole, Da:	5.12
IP(EA), eV:	-8.99(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(propan-2-ylcarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C(C3=C(C2=O)COC(C3)(C)C)C#N)N

DOS

IR

Vibrations