Geometry & MOs

Info

ID:	441687
PubChem CID:	135240540
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	438.159135
ΔH_f, kcal/mol:	-58.96
Dipole, Da:	7.62
IP(EA), eV:	-8.92(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[2-(trifluoromethyl)pyridin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=N1)N2CCC(CC2)(C)NC(=O)OC(C)(C)C)C#N

DOS

IR

Vibrations