Geometry & MOs

Info

ID:	294483
PubChem CID:	117463467
Reduced:	NSO6C11H13 (1)
Stoich.:	ABC6D11E13 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-220.84
Dipole, Da:	7.01
IP(EA), eV:	-9.35(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyloxy-4-(1-isocyanatocyclobutyl)-2-methoxybenzene

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=CC2=C1OCO2)C(CC(=O)O)N

DOS

IR

Vibrations