Geometry & MOs

Info

ID:	72138
PubChem CID:	48415850
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	295.14331
ΔH_f, kcal/mol:	-72.35
Dipole, Da:	5.06
IP(EA), eV:	-8.99(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations