Geometry & MOs

Info

ID:	243005
PubChem CID:	99214996
Reduced:	BrO2N5C18H18 (1)
Stoich.:	AB2C5D18E18 (1)
Weight, g/mol:	372.241293
ΔH_f, kcal/mol:	20.99
Dipole, Da:	8.04
IP(EA), eV:	-9.51(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidin-4-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1)Br)C(=O)NCC2=CN=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations