Geometry & MOs

Info

ID:	60956
PubChem CID:	26703571
Reduced:	N3O3H19C24 (1)
Stoich.:	A3B3C19D24 (1)
Weight, g/mol:	406.085098
ΔH_f, kcal/mol:	17.17
Dipole, Da:	4.11
IP(EA), eV:	-8.69(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-6-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C4=CN(N=C4)CC5=CC=CC=C5

DOS

IR

Vibrations