Geometry & MOs

Info

ID:	82625
PubChem CID:	49856258
Reduced:	BrOSN5C17H18 (1)
Stoich.:	ABCD5E17F18 (1)
Weight, g/mol:	421.171417
ΔH_f, kcal/mol:	43.6
Dipole, Da:	5.06
IP(EA), eV:	-9.27(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-methyl-2-(3-pyrimidin-5-ylphenyl)imidazol-4-amine

Drug info:

PubChemData

Smile

C1C[C@@H](CNC1)CNC(=O)C2=C3C(=NC=C2)N=C(N3)C4=CC(=CS4)Br

DOS

IR

Vibrations