Geometry & MOs

Info

ID:	6467
PubChem CID:	68694
Reduced:	ClNOC20H20 (1)
Stoich.:	ABCD20E20 (1)
Weight, g/mol:	325.123342
ΔH_f, kcal/mol:	55.88
Dipole, Da:	4.05
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)-N,N-dimethylpropan-1-amine oxide

Drug info:

PubChemData

Smile

C[N+](C)(CCC=C1C2=C(C=CC3=CC=CC=C31)C(=CC=C2)Cl)[O-]

DOS

IR

Vibrations