Geometry & MOs

Info

ID:	25476
PubChem CID:	625580
Reduced:	ClFON2H16C18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	332.125988
ΔH_f, kcal/mol:	-35.25
Dipole, Da:	3.02
IP(EA), eV:	-9.16(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(3,4-dimethoxyphenyl)acetic acid

Drug info:

PubChemData

Smile

CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F

DOS

IR

Vibrations