Geometry & MOs

Info

ID:	32769
PubChem CID:	7848155
Reduced:	Cl2N2O3C14H18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	290.115424
ΔH_f, kcal/mol:	-137.48
Dipole, Da:	4.29
IP(EA), eV:	-9.17(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2-oxochromen-4-yl)methyl 4-methylpentanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)CCC(C)C

DOS

IR

Vibrations