Geometry & MOs

Info

ID:	195170
PubChem CID:	78649802
Reduced:	ClN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	364.06147
ΔH_f, kcal/mol:	-50.88
Dipole, Da:	3.69
IP(EA), eV:	-9.68(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloroquinolin-3-yl)methyl 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(C=C2C=C1)C=C(C#N)C(=O)OC(C)COC)Cl

DOS

IR

Vibrations