Geometry & MOs

Info

ID:	191171
PubChem CID:	78114248
Reduced:	FN2O5H25C26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	491.16925
ΔH_f, kcal/mol:	-216.24
Dipole, Da:	9.72
IP(EA), eV:	-9.72(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=C(C4=O)C=C(C=C5)F)C(=O)O

DOS

IR

Vibrations