Geometry & MOs

Info

ID:	159024
PubChem CID:	57244575
Reduced:	ClN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	419.258931
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	7.15
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C=CCl)OC1=CC=C(C=C1)OC(C(=O)C(C)(C)C)N2C=NC=N2

DOS

IR

Vibrations