Geometry & MOs

Info

ID:	439172
PubChem CID:	135228937
Reduced:	NC23H31 (1)
Stoich.:	AB23C31 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	28.76
Dipole, Da:	1.5
IP(EA), eV:	-8.72(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidin-4-yl]-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C1=CCCC=C1C(C)CC(C)C2=CC=CC(=C2)C

DOS

IR

Vibrations