Geometry & MOs

Info

ID:	125953
PubChem CID:	50945316
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	-60.78
Dipole, Da:	3.13
IP(EA), eV:	-8.56(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C)NC(=O)C

DOS

IR

Vibrations