Geometry & MOs

Info

ID:	71056
PubChem CID:	48414229
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	-76.33
Dipole, Da:	3.21
IP(EA), eV:	-9.07(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-benzimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CCN(CC2)C(=O)COC3=CC=CC=C3

DOS

IR

Vibrations