Geometry & MOs

Info

ID:	332021
PubChem CID:	127250307
Reduced:	N3O3H23C26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	429.124405
ΔH_f, kcal/mol:	-7.66
Dipole, Da:	6.01
IP(EA), eV:	-8.98(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(3-chlorophenyl)pyridin-2-yl]morpholin-4-yl]-isoquinolin-1-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CN=C(C=C2)C3CN(CCO3)C(=O)C4=NC=CC5=CC=CC=C54

DOS

IR

Vibrations