Geometry & MOs

Info

ID:	425778
PubChem CID:	135127942
Reduced:	ClO2N5H24C29 (1)
Stoich.:	AB2C5D24E29 (1)
Weight, g/mol:	425.21435
ΔH_f, kcal/mol:	41.08
Dipole, Da:	6.02
IP(EA), eV:	-8.86(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)CNC(=O)C2=CC=CC=C2NC3=NC(=NC4=C3C=CC(=C4)Cl)C5=CN=CC=C5

DOS

IR

Vibrations