Geometry & MOs

Info

ID:	227578
PubChem CID:	87562027
Reduced:	ClN2O3H21C25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	198.980796
ΔH_f, kcal/mol:	4.62
Dipole, Da:	3.86
IP(EA), eV:	-8.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=C(C=C2)C#CC3=CC=C(C=C3)C4=NC(=CC(=C4)C(=O)O)Cl

DOS

IR

Vibrations