Geometry & MOs

Info

ID:	189534
PubChem CID:	77868927
Reduced:	F2N3O5C31H33 (1)
Stoich.:	A2B3C5D31E33 (1)
Weight, g/mol:	570.392039
ΔH_f, kcal/mol:	-272.45
Dipole, Da:	2.21
IP(EA), eV:	-9.12(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dibutoxy-2-(3,4,5-tributoxyphenyl)-3,4-dihydro-2H-chromene

Drug info:

PubChemData

Smile

CC1C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)F)CC(C3=CC=CC=C3)NC(=O)OC(C)(C)C)C4=CC=C(C=C4)O

DOS

IR

Vibrations