Geometry & MOs

Info

ID:	179270
PubChem CID:	76459080
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	322.111756
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	3.8
IP(EA), eV:	-8.78(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-oxo-8aH-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC(NN1)C(=O)N2CCC(CC2)COC3=CC=CC=C3

DOS

IR

Vibrations