Geometry & MOs

Info

ID:	179107
PubChem CID:	76434998
Reduced:	F2N2O2C17H20 (1)
Stoich.:	A2B2C2D17E20 (1)
Weight, g/mol:	348.179755
ΔH_f, kcal/mol:	-135.13
Dipole, Da:	5.29
IP(EA), eV:	-8.07(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(2-methoxyethoxy)acetyl]-2-pyridin-2-yl-1,2,3,4a,5,6,8,8a-octahydropyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN2CCC1C3C2C(CN3C(=O)CO)C4=C(C(=CC=C4)F)F

DOS

IR

Vibrations