Geometry & MOs

Info

ID:	82752
PubChem CID:	49856452
Reduced:	ON5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	445.171417
ΔH_f, kcal/mol:	37.95
Dipole, Da:	1.81
IP(EA), eV:	-9.38(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[4-amino-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-methylimidazol-2-yl]phenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CNC2=NC=CC(=C21)C(=O)NCCC3=CN=CN3

DOS

IR

Vibrations