Geometry & MOs

Info

ID:	217865
PubChem CID:	85088508
Reduced:	NO6H21C23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	407.148121
ΔH_f, kcal/mol:	-178.8
Dipole, Da:	8.25
IP(EA), eV:	-9.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(6-methyl-5-nitropyridin-2-yl)methoxy]-3-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-ol

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1)OC(=O)C2CCCN2C3=CC(=O)OC4=CC=CC=C43

DOS

IR

Vibrations