Geometry & MOs

Info

ID:	323925
PubChem CID:	126676626
Reduced:	F2N3O3C23H23 (1)
Stoich.:	A2B3C3D23E23 (1)
Weight, g/mol:	435.171355
ΔH_f, kcal/mol:	-136.75
Dipole, Da:	4.78
IP(EA), eV:	-8.51(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=CNC(=NC21)C3=CC=C(C=C3)OCC4=C(C(=CC=C4)F)F)CCC(=O)O

DOS

IR

Vibrations