Geometry & MOs

Info

ID:	228634
PubChem CID:	87565454
Reduced:	O4C11H18 (1)
Stoich.:	A4B11C18 (1)
Weight, g/mol:	493.154859
ΔH_f, kcal/mol:	-172.82
Dipole, Da:	1.83
IP(EA), eV:	-9.12(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-diamino-3-methyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C/C=C/OC(C)OC(C)OC(=O)C(=C)C

DOS

IR

Vibrations