Geometry & MOs

Info

ID:	230042
PubChem CID:	87569927
Reduced:	FN4O4H17C18 (1)
Stoich.:	AB4C4D17E18 (1)
Weight, g/mol:	230.151809
ΔH_f, kcal/mol:	-96.96
Dipole, Da:	5.26
IP(EA), eV:	-9.42(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-2,2-dimethylpropyl) 2-methylprop-2-enoate;2-methyloxirane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1=CC=C(C=C1)OC2=C3C(=NC=C2)NC(=O)C=N3)F

DOS

IR

Vibrations