Geometry & MOs

Info

ID:	227739
PubChem CID:	87562365
Reduced:	ClO2N3H12C19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	231.121906
ΔH_f, kcal/mol:	73.74
Dipole, Da:	2.43
IP(EA), eV:	-9.38(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(2,2-dimethylpropanoyl)hydrazinyl]-3-oxopropyl]carbamic acid

Drug info:

PubChemData

Smile

COC(=O)C1=NC(=NC(=C1)C2=CC=C(C=C2)C#CC3=CN=CC=C3)Cl

DOS

IR

Vibrations