Geometry & MOs

Info

ID:	387153
PubChem CID:	134984207
Reduced:	BrNPC22H33 (1)
Stoich.:	ABCD22E33 (1)
Weight, g/mol:	279.151392
ΔH_f, kcal/mol:	-27.24
Dipole, Da:	15.0
IP(EA), eV:	-7.4(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(Z)-2-acetyl-3-hydroxy-1-phenylbut-2-enyl]-ethyl-dimethylphosphanium

Drug info:

PubChemData

Smile

CC(C)(C)N(C(C)(C)C)P(C)(CC1=CC=CC=C1)(C2=CC=CC=C2)Br

DOS

IR

Vibrations