Geometry & MOs

Info

ID:	44292
PubChem CID:	10502545
Reduced:	ON2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	426.183795
ΔH_f, kcal/mol:	18.78
Dipole, Da:	7.81
IP(EA), eV:	-8.98(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CNC(=O)N(CC1=CC=CC=C1)[C@@H]2C=C[C@@H]3[C@H]2N(C(=O)C4=CC=CN34)CC5=CC=CC=C5

DOS

IR

Vibrations