Geometry & MOs

Info

ID:	145875
PubChem CID:	53605931
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-136.29
Dipole, Da:	4.47
IP(EA), eV:	-9.6(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-[(2-methoxyphenyl)methoxy]propan-2-ol

Drug info:

PubChemData

Smile

CCC(CC)C(=O)NS(=O)(=O)CCC1=CC=CC=C1

DOS

IR

Vibrations