Geometry & MOs

Info

ID:	80299
PubChem CID:	49833887
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	350.163043
ΔH_f, kcal/mol:	-25.61
Dipole, Da:	5.64
IP(EA), eV:	-8.37(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-morpholin-4-ylethoxy)-3-phenyl-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)NC(=C2OCCN)C3=CC=CC=C3

DOS

IR

Vibrations