Geometry & MOs

Info

ID:	424530
PubChem CID:	135123019
Reduced:	F2N3O5C26H31 (1)
Stoich.:	A2B3C5D26E31 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	-222.1
Dipole, Da:	5.19
IP(EA), eV:	-8.72(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-(hydroxymethyl)-4-methylphenyl]-2,2-dimethyl-3-prop-2-ynoxypropanoate

Drug info:

PubChemData

Smile

CCN1C=C(N=N1)COC(C2=CC(=C(C=C2)C)COCC3=CC=C(C=C3)OC)C(C(=O)OCC)(F)F

DOS

IR

Vibrations