Geometry & MOs

Info

ID:	418869
PubChem CID:	135107002
Reduced:	FSN5C13H18 (1)
Stoich.:	ABC5D13E18 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	17.75
Dipole, Da:	3.74
IP(EA), eV:	-8.6(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-methylbenzimidazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CS1)CNC2=NC=C(C(=N2)N(C)C)F

DOS

IR

Vibrations