Geometry & MOs

Info

ID:	175310
PubChem CID:	75881094
Reduced:	IO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	356.246378
ΔH_f, kcal/mol:	-16.02
Dipole, Da:	3.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.963635
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methylpiperidin-1-yl)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=C(C=C3)I

DOS

IR

Vibrations