Geometry & MOs

Info

ID:	192197
PubChem CID:	78242141
Reduced:	ClO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	489.110978
ΔH_f, kcal/mol:	-210.63
Dipole, Da:	4.38
IP(EA), eV:	-9.04(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(3-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C)OC1CCC2C(C1)OC=C(C2=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations