Geometry & MOs

Info

ID:	37500
PubChem CID:	8021648
Reduced:	ClNO2H6C7 (2)
Stoich.:	ABC2D6E7 (2)
Weight, g/mol:	377.022163
ΔH_f, kcal/mol:	-114.82
Dipole, Da:	2.75
IP(EA), eV:	-9.62(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7,8-dimethyl-2-oxochromen-4-yl)methyl 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations