Geometry & MOs

Info

ID:	82627
PubChem CID:	49856260
Reduced:	OF3N4H21C24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	-82.46
Dipole, Da:	4.58
IP(EA), eV:	-9.29(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)imidazol-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=CC(=CN=C4)F

DOS

IR

Vibrations