Geometry & MOs

Info

ID:	165903
PubChem CID:	74611594
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	375.232205
ΔH_f, kcal/mol:	-109.35
Dipole, Da:	8.3
IP(EA), eV:	-8.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)methyl]phenyl]-5-fluoro-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C=CC(=O)NC2=CC=CC(=C2)C(=O)N3CCCC3)OC

DOS

IR

Vibrations