Geometry & MOs

Info

ID:	72006
PubChem CID:	48415709
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	-91.99
Dipole, Da:	6.8
IP(EA), eV:	-8.79(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C(C(=C(C=C3)OC)OC)OC

DOS

IR

Vibrations