Geometry & MOs

Info

ID:	355131
PubChem CID:	127288063
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	378.197714
ΔH_f, kcal/mol:	-43.86
Dipole, Da:	4.53
IP(EA), eV:	-8.64(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N(C)C(=O)CC2=C(NC(=NC2=O)C3=CN=CC=C3)C

DOS

IR

Vibrations