Geometry & MOs

Info

ID:	384191
PubChem CID:	134976503
Reduced:	NPO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	348.221817
ΔH_f, kcal/mol:	-159.08
Dipole, Da:	5.32
IP(EA), eV:	-9.71(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[[dibutyl(methyl)phosphaniumyl]-phenylmethyl]-4-oxopent-2-en-2-olate

Drug info:

PubChemData

Smile

CC(C)P(=O)(C(C)C)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations