Geometry & MOs

Info

ID:	318317
PubChem CID:	126650500
Reduced:	ClNO2H10C15 (1)
Stoich.:	ABC2D10E15 (1)
Weight, g/mol:	321.121237
ΔH_f, kcal/mol:	-15.61
Dipole, Da:	7.84
IP(EA), eV:	-9.73(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-nitro-4-[(1S,2S)-2-prop-2-enoxycyclopentyl]oxybenzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC(=C1)C2=C(C=C(C(=C2)C#N)Cl)O

DOS

IR

Vibrations