Geometry & MOs

Info

ID:	129971
PubChem CID:	51074433
Reduced:	ON7H17C18 (1)
Stoich.:	AB7C17D18 (1)
Weight, g/mol:	331.141973
ΔH_f, kcal/mol:	113.76
Dipole, Da:	7.81
IP(EA), eV:	-9.29(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]chromene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=NC2=NC(=NN12)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

DOS

IR

Vibrations