Geometry & MOs

Info

ID:	171323
PubChem CID:	75359476
Reduced:	OC20H22 (1)
Stoich.:	AB20C22 (1)
Weight, g/mol:	309.091355
ΔH_f, kcal/mol:	-3.01
Dipole, Da:	4.43
IP(EA), eV:	-9.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)/C=C/C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations