Geometry & MOs

Info

ID:	327980
PubChem CID:	126691614
Reduced:	N3O5F6H31C36 (1)
Stoich.:	A3B5C6D31E36 (1)
Weight, g/mol:	268.14633
ΔH_f, kcal/mol:	-423.68
Dipole, Da:	5.9
IP(EA), eV:	-8.65(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2,4-trimethyl-3H-chromen-4-yl)phenol

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5=CC(=C(C=C5)O)C(=O)C)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations