Geometry & MOs

Info

ID:	294612
PubChem CID:	117473882
Reduced:	ClNOF3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	293.081871
ΔH_f, kcal/mol:	-194.53
Dipole, Da:	3.35
IP(EA), eV:	-9.26(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-(cyclopropylmethoxy)-5-(1-isocyanatocyclopropyl)-3-methoxybenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)C2CCCCN2)C(F)(F)F

DOS

IR

Vibrations