Geometry & MOs

Info

ID:	82135
PubChem CID:	49855669
Reduced:	NOF2C14H14 (2)
Stoich.:	ABC2D14E14 (2)
Weight, g/mol:	268.094688
ΔH_f, kcal/mol:	-168.86
Dipole, Da:	3.11
IP(EA), eV:	-9.2(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(4-hydroxy-3-methoxyphenyl)methyl]propanedioate

Drug info:

PubChemData

Smile

CC1(N(C(C(=C1)CN2C/C(=C\C3=C(C=C(C=C3)F)F)/C(=O)/C(=C/C4=C(C=C(C=C4)F)F)/C2)(C)C)O)C

DOS

IR

Vibrations