Geometry & MOs

Info

ID:	294024
PubChem CID:	117422677
Reduced:	ClO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	267.066221
ΔH_f, kcal/mol:	-32.68
Dipole, Da:	2.87
IP(EA), eV:	-8.43(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C2=C(N(N=C2)C)N)Cl)O)OC

DOS

IR

Vibrations