Geometry & MOs

Info

ID:	293196
PubChem CID:	117376578
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.115364
ΔH_f, kcal/mol:	-99.99
Dipole, Da:	2.49
IP(EA), eV:	-8.9(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-isocyanatocyclobutyl)-4-phenylbenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C=O)CC2CCNCC2)O

DOS

IR

Vibrations