Geometry & MOs

Info

ID:	146387
PubChem CID:	53679748
Reduced:	ClN2O3H21C25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	238.051289
ΔH_f, kcal/mol:	-10.87
Dipole, Da:	4.55
IP(EA), eV:	-8.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)C#CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations