Geometry & MOs

Info

ID:	370866
PubChem CID:	127341164
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-51.8
Dipole, Da:	3.02
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1COCCC1C2=NC(=NO2)CN3CCC4=C(C3)C=C(C=C4)O

DOS

IR

Vibrations