Geometry & MOs

Info

ID:	424462
PubChem CID:	135122770
Reduced:	N2O2F3C15H15 (1)
Stoich.:	A2B2C3D15E15 (1)
Weight, g/mol:	410.209324
ΔH_f, kcal/mol:	-202.19
Dipole, Da:	3.37
IP(EA), eV:	-8.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]-2,2-dimethyl-3-prop-2-ynoxypropanoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1O)C)N(C)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations