Geometry & MOs

Info

ID:	243734
PubChem CID:	99234432
Reduced:	BrClSO2N4H14C19 (1)
Stoich.:	ABCD2E4F14G19 (1)
Weight, g/mol:	413.304228
ΔH_f, kcal/mol:	-5.01
Dipole, Da:	1.96
IP(EA), eV:	-8.86(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]butyl]-4-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)C3=C(S2)C=CC(=C3)Cl)C(=O)NCC4=CN5C=C(C=CC5=N4)Br

DOS

IR

Vibrations