Geometry & MOs

Info

ID:	338038
PubChem CID:	127258669
Reduced:	NO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	219.053158
ΔH_f, kcal/mol:	-56.81
Dipole, Da:	2.21
IP(EA), eV:	-9.78(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxoisochromen-3-yl)methyl carbamate

Drug info:

PubChemData

Smile

CC(C)(CC(=C)C#C)OC(=O)N

DOS

IR

Vibrations