Geometry & MOs

Info

ID:	362917
PubChem CID:	127309755
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	381.185255
ΔH_f, kcal/mol:	-68.81
Dipole, Da:	5.54
IP(EA), eV:	-9.2(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(CNC(=O)NCC2CCC3=CC=CC=C23)O

DOS

IR

Vibrations