Geometry & MOs

Info

ID:	128369
PubChem CID:	51041640
Reduced:	NOCl2C18H23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	371.152144
ΔH_f, kcal/mol:	-46.79
Dipole, Da:	2.36
IP(EA), eV:	-9.18(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methylphenyl)methyl]-2-phenylmethoxy-4H-isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

C[C@H](COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl

DOS

IR

Vibrations