Geometry & MOs

Info

ID:	445126
PubChem CID:	135264654
Reduced:	Cl2O3N4H20C21 (1)
Stoich.:	A2B3C4D20E21 (1)
Weight, g/mol:	419.246044
ΔH_f, kcal/mol:	-101.23
Dipole, Da:	4.19
IP(EA), eV:	-9.25(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6E)-10-hydroxy-6,8-dimethyl-5-oxo-9,10-dihydro-8H-benzo[8]annulen-7-yl]-N-[2-methyl-2-(2-methylphenyl)propyl]acetamide

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2)C=C(C=C3)CNC(=O)NC4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations