Geometry & MOs

Info

ID:	51626
PubChem CID:	12014327
Reduced:	NOC24H36 (1)
Stoich.:	ABC24D36 (1)
Weight, g/mol:	663.42476
ΔH_f, kcal/mol:	-20.13
Dipole, Da:	6.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.145246
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-benzofuran-2-yl)-2-oxoethyl]-tributylazanium;tetraphenylboranuide

Drug info:

PubChemData

Smile

CCCC[N+](CCCC)(CCCC)CC(=O)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations