Geometry & MOs

Info

ID:	446084
PubChem CID:	135272268
Reduced:	OSN6H10C17 (1)
Stoich.:	ABC6D10E17 (1)
Weight, g/mol:	167.058243
ΔH_f, kcal/mol:	123.02
Dipole, Da:	5.03
IP(EA), eV:	-9.51(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pent-4-ynoyloxirane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C(=O)NC2=NC(=NS2)C3=C(C=CC=C3C#N)C#N

DOS

IR

Vibrations