Geometry & MOs

Info

ID:	29092
PubChem CID:	831556
Reduced:	ClNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-37.99
Dipole, Da:	2.81
IP(EA), eV:	-8.38(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-(3-hydroxyimino-1-azabicyclo[2.2.2]octan-2-ylidene)methyl]phenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNCC2=CC=C(C=C2)Cl)OC

DOS

IR

Vibrations