Geometry & MOs

Info

ID:	439229
PubChem CID:	135228996
Reduced:	NC21H29 (1)
Stoich.:	AB21C29 (1)
Weight, g/mol:	319.205991
ΔH_f, kcal/mol:	26.39
Dipole, Da:	2.75
IP(EA), eV:	-8.91(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3Z)-2-amino-3-(aminomethylidene)-7-fluoro-1H-isoindol-1-yl]-3-cyclohexylpropan-2-ol

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C1=CC=CC=C1C(C)CC(=C)C2CCCC2

DOS

IR

Vibrations