Geometry & MOs

Info

ID:	218461
PubChem CID:	85089486
Reduced:	N3O4C27H39 (1)
Stoich.:	A3B4C27D39 (1)
Weight, g/mol:	469.101
ΔH_f, kcal/mol:	-145.29
Dipole, Da:	6.65
IP(EA), eV:	-9.21(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[chloro(phenyl)bismuthanyl]phenyl]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CC1=C(C2CCC([N+]2=C(N1)N)CC(CCCCCCOCC3=CC=CC=C3)[O-])C(=O)OCC=C

DOS

IR

Vibrations