Geometry & MOs

Info

ID:	438955
PubChem CID:	135228716
Reduced:	N3C21H31 (1)
Stoich.:	A3B21C31 (1)
Weight, g/mol:	291.174691
ΔH_f, kcal/mol:	43.03
Dipole, Da:	6.52
IP(EA), eV:	-8.86(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-[(3Z)-3-(aminomethylidene)-2-fluoro-1H-isoindol-1-yl]-1-piperidin-4-ylethanol

Drug info:

PubChemData

Smile

CCCC(CC1C2(C=CC=CC2C3=CN=CN13)C)C4CCNCC4

DOS

IR

Vibrations