Geometry & MOs

Info

ID:	425513
PubChem CID:	135126593
Reduced:	O2F3N4C11H13 (1)
Stoich.:	A2B3C4D11E13 (1)
Weight, g/mol:	486.141594
ΔH_f, kcal/mol:	-231.03
Dipole, Da:	7.82
IP(EA), eV:	-9.48(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-3-[2-[1-(1H-pyrazol-4-yl)benzimidazol-5-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(C2=C(C=CN21)C(=O)N)CC(F)(F)F)C(=O)N

DOS

IR

Vibrations