Geometry & MOs

Info

ID:	318300
PubChem CID:	126650395
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	475.202655
ΔH_f, kcal/mol:	-39.32
Dipole, Da:	7.62
IP(EA), eV:	-9.25(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoate

Drug info:

PubChemData

Smile

C1CNC[C@@H]([C@H]1C2=CC=C(C=C2)O)COC3=CC4=C(C=C3)C=NC4=O

DOS

IR

Vibrations