Geometry & MOs

Info

ID:	352122
PubChem CID:	127283190
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-57.37
Dipole, Da:	3.66
IP(EA), eV:	-9.55(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2,3-dihydro-1H-indene-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)C2CCC3=CC=CC=C23

DOS

IR

Vibrations