Geometry & MOs

Info

ID:	229273
PubChem CID:	87567306
Reduced:	O3F6N6C22H22 (1)
Stoich.:	A3B6C6D22E22 (1)
Weight, g/mol:	514.155193
ΔH_f, kcal/mol:	-309.28
Dipole, Da:	4.75
IP(EA), eV:	-7.82(-1.29)
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]ethyl 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=CC(=C2C3=NC4=C(C=C3)C(=NC(=N4)N)NCCO)C(F)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations