Geometry & MOs

Info

ID:	43725
PubChem CID:	10321700
Reduced:	ClINO4C16H21 (1)
Stoich.:	ABCD4E16F21 (1)
Weight, g/mol:	452.046126
ΔH_f, kcal/mol:	-181.59
Dipole, Da:	5.26
IP(EA), eV:	-9.48(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-acetyl-1-methyl-2-[2-(1-methylindol-2-yl)-2-oxoethyl]-2H-pyridin-3-yl]-2,2,2-trichloroethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)OCCI

DOS

IR

Vibrations