Geometry & MOs

Info

ID:	337263
PubChem CID:	127256945
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-98.53
Dipole, Da:	2.94
IP(EA), eV:	-9.63(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentan-3-yl 3-ethyl-2-methyl-4-nitrobenzoate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)C(=O)OC(CC)CC

DOS

IR

Vibrations