Geometry & MOs

Info

ID:	446336
PubChem CID:	135274185
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-86.02
Dipole, Da:	5.29
IP(EA), eV:	-9.32(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[7-(1-methyltriazol-4-yl)-4-oxochromen-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C[C@H]1CCN(C1)C(=O)C2=CC3=C(C=C2)OC(=CC3=O)CN

DOS

IR

Vibrations