Geometry & MOs

Info

ID:	46172
PubChem CID:	10522792
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	364.157563
ΔH_f, kcal/mol:	-28.89
Dipole, Da:	3.6
IP(EA), eV:	-8.34(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-5-[(4-phenylisoquinolin-1-yl)methyl]-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

CN(C)CCCNC1=C2C3=C(C=C1)N=CN3C4=CC5=C(C=C4C2=O)OCO5

DOS

IR

Vibrations