Geometry & MOs

Info

ID:	265180
PubChem CID:	103512888
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	-106.74
Dipole, Da:	3.66
IP(EA), eV:	-10.52(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propoxybenzoyl isocyanate

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)C(=O)N=C=O)C

DOS

IR

Vibrations