Geometry & MOs

Info

ID:	294301
PubChem CID:	117452264
Reduced:	ClO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	281.081871
ΔH_f, kcal/mol:	-24.82
Dipole, Da:	4.1
IP(EA), eV:	-8.63(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(1-isocyanatocyclobutyl)-1-methoxy-3-(methoxymethyl)benzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)Cl)C2=NN(C(=C2)N)C)OC

DOS

IR

Vibrations