Geometry & MOs

Info

ID:	313907
PubChem CID:	126618854
Reduced:	Cl2N3O3C25H27 (1)
Stoich.:	A2B3C3D25E27 (1)
Weight, g/mol:	385.115732
ΔH_f, kcal/mol:	-82.32
Dipole, Da:	10.77
IP(EA), eV:	-9.0(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(4-chloro-2-fluorophenyl)-1-fluoroethyl]phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC(CC(=O)O)C[NH+]1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl.[Cl-]

DOS

IR

Vibrations