Geometry & MOs

Info

ID:	338039
PubChem CID:	127258670
Reduced:	NO4H9C11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	219.053158
ΔH_f, kcal/mol:	-131.07
Dipole, Da:	3.85
IP(EA), eV:	-9.31(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxoisochromen-4-yl)methyl carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(OC2=O)COC(=O)N

DOS

IR

Vibrations