Geometry & MOs

Info

ID:	435617
PubChem CID:	135191955
Reduced:	O4N7H19C23 (1)
Stoich.:	A4B7C19D23 (1)
Weight, g/mol:	307.105587
ΔH_f, kcal/mol:	47.76
Dipole, Da:	9.32
IP(EA), eV:	-9.56(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxycarbonyl-4-methylcyclopentyl) 4-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2=CC3=C(C=C2)OCC(=NC(=O)C4=NN(C=N4)CC5=CC=CC=C5)C(=O)N3C

DOS

IR

Vibrations