Geometry & MOs

Info

ID:	431425
PubChem CID:	135171500
Reduced:	Cl2N3O8C27H29 (1)
Stoich.:	A2B3C8D27E29 (1)
Weight, g/mol:	204.101111
ΔH_f, kcal/mol:	-313.16
Dipole, Da:	4.14
IP(EA), eV:	-9.38(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)COC2CC(C(C(O2)CO)O)O)C(=O)OC3=C(C=C(C=C3)Cl)C4=NC(=O)C5=C(N4)C=CC(=C5)Cl

DOS

IR

Vibrations