Geometry & MOs

Info

ID:	82145
PubChem CID:	49855683
Reduced:	ON5C23H23 (1)
Stoich.:	AB5C23D23 (1)
Weight, g/mol:	347.120467
ΔH_f, kcal/mol:	85.88
Dipole, Da:	7.53
IP(EA), eV:	-9.06(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(5-methylthiophen-3-yl)-2-(3-pyrimidin-5-ylphenyl)imidazol-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)[C@@]2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=CN=CN=C4

DOS

IR

Vibrations