Geometry & MOs

Info

ID:	445651
PubChem CID:	135268763
Reduced:	O2N7H25C26 (1)
Stoich.:	A2B7C25D26 (1)
Weight, g/mol:	463.187399
ΔH_f, kcal/mol:	70.19
Dipole, Da:	5.23
IP(EA), eV:	-8.6(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7-(2-propan-2-yloxyethoxy)-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C=NC2=C(N=CN=C21)CC3=C(C=CC(=C3)C4=NC=NC5=C4C=CC(=C5)N6CCOCC6)OC

DOS

IR

Vibrations