Geometry & MOs

Info

ID:	194122
PubChem CID:	78486652
Reduced:	N2O2C8H13 (2)
Stoich.:	A2B2C8D13 (2)
Weight, g/mol:	384.112837
ΔH_f, kcal/mol:	-165.7
Dipole, Da:	2.67
IP(EA), eV:	-8.64(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(4-butan-2-ylphenyl)-2-oxoethoxy]-6-chloro-4-methylchromen-2-one

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(C(=O)NC1=O)C=NCCCN2CCOCC2

DOS

IR

Vibrations