Geometry & MOs

Info

ID:	229272
PubChem CID:	87567302
Reduced:	N2O3H18C20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	532.165758
ΔH_f, kcal/mol:	1.44
Dipole, Da:	6.29
IP(EA), eV:	-8.5(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-7-[2-pyrrolidin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]ethanol;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C/C=C/3\C=CC(=O)C(=C3)OC

DOS

IR

Vibrations