Geometry & MOs

Info

ID:	141706
PubChem CID:	52919544
Reduced:	N3O9C26H29 (1)
Stoich.:	A3B9C26D29 (1)
Weight, g/mol:	415.192072
ΔH_f, kcal/mol:	-246.09
Dipole, Da:	5.5
IP(EA), eV:	-8.52(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-fluorophenyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]imidazol-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.C(C(C(=O)O)O)C(=O)O

DOS

IR

Vibrations