Geometry & MOs

Info

ID:	245306
PubChem CID:	99443273
Reduced:	ON4C24H28 (1)
Stoich.:	AB4C24D28 (1)
Weight, g/mol:	405.252861
ΔH_f, kcal/mol:	-3.82
Dipole, Da:	2.78
IP(EA), eV:	-8.34(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethyl-1H-indol-3-yl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2CC(=O)N[C@H](CC(C)C)C3=NC4=CC=CC=C4N3)C

DOS

IR

Vibrations