Geometry & MOs

Info

ID:	237012
PubChem CID:	92716837
Reduced:	ClON3H22C25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	449.267842
ΔH_f, kcal/mol:	35.57
Dipole, Da:	7.45
IP(EA), eV:	-8.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(2R)-3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C3=CC=CC=C3N=C2[C@H]4CC(=O)N(C4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations