Geometry & MOs

Info

ID:	292841
PubChem CID:	117360657
Reduced:	NSO3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	243.162314
ΔH_f, kcal/mol:	-119.85
Dipole, Da:	6.45
IP(EA), eV:	-9.21(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-isocyanatocyclobutyl)-2,3-dimethyl-5-propan-2-ylbenzene

Drug info:

PubChemData

Smile

CN(C1=CC=CC(=C1)CCCO)S(=O)(=O)C

DOS

IR

Vibrations