Geometry & MOs

Info

ID:	72248
PubChem CID:	48415968
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	410.185509
ΔH_f, kcal/mol:	-18.85
Dipole, Da:	4.9
IP(EA), eV:	-8.83(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=C(O3)COC4=CC=CC=C4

DOS

IR

Vibrations