Geometry & MOs

Info

ID:	82629
PubChem CID:	49856262
Reduced:	O2N5H19C22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	402.149204
ΔH_f, kcal/mol:	67.5
Dipole, Da:	6.38
IP(EA), eV:	-8.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(5-fluoropyridin-3-yl)phenyl]-5-methylimidazol-4-amine

Drug info:

PubChemData

Smile

CC1=NC(N=C1N)(C2=CC3=C(C=C2)OCCO3)C4=CC=CC(=C4)C5=CN=CN=C5

DOS

IR

Vibrations