Geometry & MOs

Info

ID:	149440
PubChem CID:	53789113
Reduced:	ClNO3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	352.199822
ΔH_f, kcal/mol:	-90.5
Dipole, Da:	2.25
IP(EA), eV:	-8.52(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]carbamoyloxy]propyl prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=CC(=C1)N2C(=CC(=C2O)C(=C)C)O)Cl

DOS

IR

Vibrations