Geometry & MOs

Info

ID:	442658
PubChem CID:	135253976
Reduced:	ClNOH12C16 (2)
Stoich.:	ABCD12E16 (2)
Weight, g/mol:	440.14633
ΔH_f, kcal/mol:	21.97
Dipole, Da:	8.35
IP(EA), eV:	-8.41(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[1-(4-bromophenyl)propan-2-ylideneamino]cyclohepta-2,4,6-trien-1-yl]-1-piperidin-2-ylprop-2-en-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=C(C=C2)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)NC5=CC(=C(C=C5)Cl)C(=O)O

DOS

IR

Vibrations