Geometry & MOs

Info

ID:	151575
PubChem CID:	53837809
Reduced:	ClNOF2H20C21 (1)
Stoich.:	ABCD2E20F21 (1)
Weight, g/mol:	365.162708
ΔH_f, kcal/mol:	-98.11
Dipole, Da:	3.47
IP(EA), eV:	-8.17(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-3-methoxy-2-[3-(1-methylpiperidin-3-yl)phenyl]chromen-4-one

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1C2=CC=CC=C2F)O)C(C)(C)C3=CC(=CC(=C3)Cl)F)C

DOS

IR

Vibrations