Geometry & MOs

Info

ID:	384652
PubChem CID:	134977405
Reduced:	SN2O3H20C24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	99.043056
ΔH_f, kcal/mol:	0.2
Dipole, Da:	3.55
IP(EA), eV:	-8.3(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-deuteriocycloprop-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)OC1=C2C(=CC=CN2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C#N

DOS

IR

Vibrations