Geometry & MOs

Info

ID:	337645
PubChem CID:	127258268
Reduced:	BClNOH11C17 (1)
Stoich.:	ABCDE11F17 (1)
Weight, g/mol:	213.096109
ΔH_f, kcal/mol:	64.71
Dipole, Da:	4.63
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B]OC1=CC=CC2=C1N=C(C=C2)/C=C/C3=CC=CC=C3Cl

DOS

IR

Vibrations