Geometry & MOs

Info

ID:	240807
PubChem CID:	93617649
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-30.79
Dipole, Da:	3.73
IP(EA), eV:	-8.94(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethoxy-N-[(1R)-1-pyridin-2-ylethyl]-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)CC2=CC=C(C=C2)N3C=CC=N3)C(=O)N

DOS

IR

Vibrations