Geometry & MOs

Info

ID:	49491
PubChem CID:	11533108
Reduced:	FO3N6C25H29 (1)
Stoich.:	AB3C6D25E29 (1)
Weight, g/mol:	480.243773
ΔH_f, kcal/mol:	-111.26
Dipole, Da:	2.99
IP(EA), eV:	-8.67(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-fluorophenyl)-7-[(propan-2-ylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)N1C=C(N(C1=O)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NC4CCC(CC4)N5CCOC5=O

DOS

IR

Vibrations