Geometry & MOs

Info

ID:	449905
PubChem CID:	135302429
Reduced:	N2O2H12C13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-37.8
Dipole, Da:	6.28
IP(EA), eV:	-8.96(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-[(1R,5R)-6-oxa-8-azabicyclo[3.2.2]nonan-8-yl]acetamide

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C4=NC5=C(O4)C=CC=N5

DOS

IR

Vibrations