Geometry & MOs

Info

ID:	439242
PubChem CID:	135229009
Reduced:	N2C27H40 (1)
Stoich.:	A2B27C40 (1)
Weight, g/mol:	314.179442
ΔH_f, kcal/mol:	65.66
Dipole, Da:	0.97
IP(EA), eV:	-8.83(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-(4-methylcyclohexyl)ethanol

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C1C=CC=CC1C(C)CC(=C)C2CCC(C(=C=C)NCC2)(C)C

DOS

IR

Vibrations