Geometry & MOs

Info

ID:	69145
PubChem CID:	46525492
Reduced:	F2O2N3H15C21 (1)
Stoich.:	A2B2C3D15E21 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-69.55
Dipole, Da:	4.36
IP(EA), eV:	-8.88(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-1-adamantyl)-N-isoquinolin-5-ylacetamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)CCC3=NC=C(O3)C4=C(C=CC=C4F)F

DOS

IR

Vibrations