Geometry & MOs

Info

ID:	170623
PubChem CID:	75260232
Reduced:	OF2N3C19H31 (1)
Stoich.:	AB2C3D19E31 (1)
Weight, g/mol:	426.226705
ΔH_f, kcal/mol:	-135.05
Dipole, Da:	4.86
IP(EA), eV:	-8.73(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-ethoxy-4-(2-hydroxyethoxy)phenyl]methyl]-2-pyridin-4-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC)CCCNC1CCN(CC1O)CC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations