Geometry & MOs

Info

ID:	232660
PubChem CID:	87576654
Reduced:	ClO3N5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	391.104732
ΔH_f, kcal/mol:	-55.61
Dipole, Da:	7.33
IP(EA), eV:	-8.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-chloro-5-hydroxy-8-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrido[2,3-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CN=C(C(=C1OC)C)CN2C=C(C3=C2N=C(N=C3Cl)N)C(=O)OC

DOS

IR

Vibrations