Geometry & MOs

Info

ID:	319330
PubChem CID:	126655676
Reduced:	BrNOH12C15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	547.215718
ΔH_f, kcal/mol:	31.98
Dipole, Da:	2.76
IP(EA), eV:	-8.47(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-[bis(4-chlorophenyl)methyl]-2-(cyclopropylamino)benzenecarboximidoyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C3C(=C2)C=CN3)Br

DOS

IR

Vibrations