Geometry & MOs

Info

ID:	69587
PubChem CID:	47194134
Reduced:	OS2N4C10H12 (1)
Stoich.:	AB2C4D10E12 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	9.93
Dipole, Da:	3.06
IP(EA), eV:	-9.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethynylphenyl)-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CNC(=O)NC2=NC(=CS2)C

DOS

IR

Vibrations