Geometry & MOs

Info

ID:	323924
PubChem CID:	126676621
Reduced:	N7C22H23 (1)
Stoich.:	A7B22C23 (1)
Weight, g/mol:	427.170748
ΔH_f, kcal/mol:	134.87
Dipole, Da:	5.38
IP(EA), eV:	-8.36(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidin-6-yl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC(=C4N)NN)N

DOS

IR

Vibrations