Geometry & MOs

Info

ID:	448259
PubChem CID:	135289675
Reduced:	ClSN8H21C29 (1)
Stoich.:	ABC8D21E29 (1)
Weight, g/mol:	442.228123
ΔH_f, kcal/mol:	263.38
Dipole, Da:	9.78
IP(EA), eV:	-8.6(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC2=CC(=CN=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C(=CC=NC6=N5)C7=CC=C(S7)Cl

DOS

IR

Vibrations