Geometry & MOs

Info

ID:	49577
PubChem CID:	11533299
Reduced:	ClO2F3N4C24H24 (1)
Stoich.:	AB2C3D4E24F24 (1)
Weight, g/mol:	493.183793
ΔH_f, kcal/mol:	-172.11
Dipole, Da:	5.33
IP(EA), eV:	-9.02(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[1-[2-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)COC2=NC=C(C=C2)Cl)CC3=CN(C=C3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations