Geometry & MOs

Info

ID:	446332
PubChem CID:	135274170
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	427.185569
ΔH_f, kcal/mol:	-116.42
Dipole, Da:	3.02
IP(EA), eV:	-9.46(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[6-[1-[2-(dimethylamino)-2-oxoethyl]triazol-4-yl]-4-oxochromen-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations