Geometry & MOs

Info

ID:	11748
PubChem CID:	120365
Reduced:	ClNPO6C12H17 (1)
Stoich.:	ABCD6E12F17 (1)
Weight, g/mol:	337.048202
ΔH_f, kcal/mol:	-248.46
Dipole, Da:	7.16
IP(EA), eV:	-10.27(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-chloroethyl (4-nitrophenyl) phosphate

Drug info:

PubChemData

Smile

CCCCOP(=O)(OCCCl)OC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations