Geometry & MOs

Info

ID:	187459
PubChem CID:	77574112
Reduced:	O5N7C18H23 (1)
Stoich.:	A5B7C18D23 (1)
Weight, g/mol:	613.258646
ΔH_f, kcal/mol:	-105.85
Dipole, Da:	4.07
IP(EA), eV:	-9.09(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(4-methylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

C1CC(C(C1)O)NC2=C3C(=NC(=N2)N4C=CC=N4)N(C=N3)C5C(C(C(O5)CO)O)O

DOS

IR

Vibrations