Geometry & MOs

Info

ID:	446339
PubChem CID:	135274197
Reduced:	NO5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-135.13
Dipole, Da:	5.67
IP(EA), eV:	-9.04(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[7-(3-methylphenoxy)-4-oxochromen-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=O)C2=C(O1)C(=CC=C2)OCC#C

DOS

IR

Vibrations