Geometry & MOs

Info

ID:	313896
PubChem CID:	126618706
Reduced:	Cl2N3O3H21C23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	411.139448
ΔH_f, kcal/mol:	-55.43
Dipole, Da:	4.32
IP(EA), eV:	-8.78(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=CN=C(N=C21)C3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)CCC(=O)O

DOS

IR

Vibrations