Geometry & MOs

Info

ID:	161680
PubChem CID:	57392312
Reduced:	NC3H3 (5)
Stoich.:	AB3C3 (5)
Weight, g/mol:	529.366828
ΔH_f, kcal/mol:	101.53
Dipole, Da:	6.42
IP(EA), eV:	-8.87(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-diphenyl-4-piperidin-1-yl-2-bicyclo[2.2.2]octanyl) 4-(4-methylpiperazin-1-yl)butanoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C#N)NC3CC3

DOS

IR

Vibrations