Geometry & MOs

Info

ID:	439243
PubChem CID:	135229010
Reduced:	FON2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	366.241962
ΔH_f, kcal/mol:	-57.61
Dipole, Da:	4.54
IP(EA), eV:	-9.17(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)[C@@H](C[C@@H]2C3=C(C=CC=C3F)C4=CN=CN24)O

DOS

IR

Vibrations