Geometry & MOs

Info

ID:	352145
PubChem CID:	127283213
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	14.82
Dipole, Da:	7.1
IP(EA), eV:	-8.72(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)NC3=C4CCCC4=NN3C

DOS

IR

Vibrations