Geometry & MOs

Info

ID:	179069
PubChem CID:	76429531
Reduced:	F2O2N3C21H21 (1)
Stoich.:	A2B2C3D21E21 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-125.36
Dipole, Da:	3.81
IP(EA), eV:	-9.3(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-hydroxyphenyl)methyl]-2-[(6-methylpyridin-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

Drug info:

PubChemData

Smile

C1CN2C(CN1CC3=CC(=C(C=C3)F)F)C(=O)NC(C2=O)CC4=CC=CC=C4

DOS

IR

Vibrations