Geometry & MOs

Info

ID:	72283
PubChem CID:	48416003
Reduced:	FON2C11H11 (2)
Stoich.:	ABC2D11E11 (2)
Weight, g/mol:	415.212058
ΔH_f, kcal/mol:	-113.49
Dipole, Da:	8.72
IP(EA), eV:	-8.82(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3CC(=O)N(C3)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations