Geometry & MOs

Info

ID:	292928
PubChem CID:	117365372
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-37.04
Dipole, Da:	2.03
IP(EA), eV:	-8.77(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-isocyanatocyclobutyl)-4-(2-methoxypropan-2-yl)benzene

Drug info:

PubChemData

Smile

CC(C1(CC1)C2=CC3=C(C=C2)OC4(O3)CCC4)N

DOS

IR

Vibrations