Geometry & MOs

Info

ID:	313888
PubChem CID:	126618687
Reduced:	ClN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	451.166269
ΔH_f, kcal/mol:	-57.85
Dipole, Da:	2.71
IP(EA), eV:	-8.83(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCC(=O)O)N1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations