Geometry & MOs

Info

ID:	356101
PubChem CID:	127291137
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-120.7
Dipole, Da:	3.56
IP(EA), eV:	-9.05(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCCCCC1)C(=O)NC2CCCOC2

DOS

IR

Vibrations