Geometry & MOs

Info

ID:	347972
PubChem CID:	127273034
Reduced:	ON5C17H31 (1)
Stoich.:	AB5C17D31 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-36.1
Dipole, Da:	5.27
IP(EA), eV:	-8.52(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCC(=O)NCC(C)N2CCN(CC2)C

DOS

IR

Vibrations