Geometry & MOs

Info

ID:	425515
PubChem CID:	135126596
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	557.215093
ΔH_f, kcal/mol:	-55.06
Dipole, Da:	7.58
IP(EA), eV:	-8.79(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzimidazol-5-yl]ethynyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC1C2=C(C(=CN2CCN1C(=O)N)C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations