Geometry & MOs

Info

ID:	446337
PubChem CID:	135274189
Reduced:	N2O2C9H10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	291.110673
ΔH_f, kcal/mol:	-90.04
Dipole, Da:	8.8
IP(EA), eV:	-9.54(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(8-hydroxy-4-oxochromen-2-yl)methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=O)C2=C(O1)C=C(C=C2)C3=CN(N=N3)C

DOS

IR

Vibrations