Geometry & MOs

Info

ID:	432574
PubChem CID:	135172707
Reduced:	N2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	15.83
Dipole, Da:	2.1
IP(EA), eV:	-8.38(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyrrolidin-3-yloxyethanone

Drug info:

PubChemData

Smile

CCNC(=C)/C=C/CN(C)C

DOS

IR

Vibrations