Geometry & MOs

Info

ID:	294926
PubChem CID:	117505505
Reduced:	ClO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	321.03644
ΔH_f, kcal/mol:	-32.19
Dipole, Da:	4.65
IP(EA), eV:	-8.15(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-(cyclopropylmethoxy)-3-(1-isocyanatocyclopropyl)-5-methylbenzene

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC(=C(C(=C2)Cl)OC)OC3CCCC3)N

DOS

IR

Vibrations