Geometry & MOs

Info

ID:	380397
PubChem CID:	134970837
Reduced:	N3O3C11H19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	325.229642
ΔH_f, kcal/mol:	-105.06
Dipole, Da:	3.5
IP(EA), eV:	-9.2(0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

butoxy-oxo-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium

Drug info:

PubChemData

Smile

CC1(C2=NCC(CN2C(N1O)(C)C)C(=O)O)C

DOS

IR

Vibrations