Geometry & MOs

Info

ID:	125427
PubChem CID:	50923872
Reduced:	FO2N4C29H31 (1)
Stoich.:	AB2C4D29E31 (1)
Weight, g/mol:	377.176422
ΔH_f, kcal/mol:	-64.45
Dipole, Da:	3.68
IP(EA), eV:	-7.8(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-fluoro-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)N2CCCC3=C4C5=CC=CC=C5NC4=C(N=C32)CC6=CC(=C(C=C6)OC)F

DOS

IR

Vibrations