Geometry & MOs

Info

ID:	59721
PubChem CID:	24894880
Reduced:	N4H11C12 (2)
Stoich.:	A4B11C12 (2)
Weight, g/mol:	396.241293
ΔH_f, kcal/mol:	189.22
Dipole, Da:	4.34
IP(EA), eV:	-8.7(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-[2-[(2R)-1-hydroxypropan-2-yl]-1-oxo-3,4-dihydroisoquinolin-5-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CNC3=NC=C(N=C3)C4=CC=C(C=C4)C[C@@H](C5=NNN=N5)N

DOS

IR

Vibrations