Geometry & MOs

Info

ID:	45805
PubChem CID:	10517755
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	-79.62
Dipole, Da:	7.8
IP(EA), eV:	-8.61(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-enyl-2,6-dimethoxyphenyl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)C1=C(N=C(S1)NC2=CC=CC=C2OC)C(=O)O

DOS

IR

Vibrations