Geometry & MOs

Info

ID:	195803
PubChem CID:	78732571
Reduced:	ClN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	366.218152
ΔH_f, kcal/mol:	-79.66
Dipole, Da:	1.92
IP(EA), eV:	-8.76(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(=O)NC(C)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations