Geometry & MOs

Info

ID:	153249
PubChem CID:	56312415
Reduced:	O2N5C27H33 (1)
Stoich.:	A2B5C27D33 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-22.49
Dipole, Da:	2.61
IP(EA), eV:	-8.5(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-indol-3-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C)C

DOS

IR

Vibrations