Geometry & MOs

Info

ID:	82626
PubChem CID:	49856259
Reduced:	OF2N5H21C23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	438.166746
ΔH_f, kcal/mol:	-24.01
Dipole, Da:	6.17
IP(EA), eV:	-9.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(difluoromethoxy)-3,5-dimethylphenyl]-2-[3-(5-fluoropyridin-3-yl)phenyl]-5-methylimidazol-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(F)F)C)C2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=CN=CN=C4

DOS

IR

Vibrations