Geometry & MOs

Info

ID:	337261
PubChem CID:	127256943
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-95.5
Dipole, Da:	2.67
IP(EA), eV:	-9.02(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentan-3-yl 3-ethyl-4-nitrobenzoate

Drug info:

PubChemData

Smile

CCC(CC)OC(=O)NC1=CC=CC(=C1)CBr

DOS

IR

Vibrations