Geometry & MOs

Info

ID:	21808
PubChem CID:	591372
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-91.97
Dipole, Da:	4.88
IP(EA), eV:	-10.86(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylpentyl 4-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C)CCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations