Geometry & MOs

Info

ID:	232892
PubChem CID:	87577434
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	403.141117
ΔH_f, kcal/mol:	-40.3
Dipole, Da:	4.04
IP(EA), eV:	-8.67(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC(=O)/C(=C/2\NC(=NC=N2)C3=CC(=C(C=C3)C)C)/C=C1

DOS

IR

Vibrations