Geometry & MOs

Info

ID:	353030
PubChem CID:	127284180
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-88.47
Dipole, Da:	6.76
IP(EA), eV:	-9.16(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-1-yl-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2CCN(CC2)C(=O)C3CCC4=CC=CC=C34

DOS

IR

Vibrations