Geometry & MOs

Info

ID:	337262
PubChem CID:	127256944
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-101.39
Dipole, Da:	5.21
IP(EA), eV:	-10.4(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentan-3-yl 3-ethylbenzoate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C(=O)OC(CC)CC)[N+](=O)[O-]

DOS

IR

Vibrations