Geometry & MOs

Info

ID:	361105
PubChem CID:	127302021
Reduced:	SO3N4C17H26 (1)
Stoich.:	AB3C4D17E26 (1)
Weight, g/mol:	314.210661
ΔH_f, kcal/mol:	-101.28
Dipole, Da:	7.13
IP(EA), eV:	-8.33(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)C2=CC=C(C=C2)N3CCCS3(=O)=O)C

DOS

IR

Vibrations