Geometry & MOs

Info

ID:	436815
PubChem CID:	135211828
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	561.27399
ΔH_f, kcal/mol:	-131.57
Dipole, Da:	6.1
IP(EA), eV:	-9.15(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-([1]benzofuro[3,2-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCC1=CC(=CC(=C1)N2C(=O)CCC2=O)C(=O)N3CCCC3

DOS

IR

Vibrations