Geometry & MOs

Info

ID:	199252
PubChem CID:	79223482
Reduced:	N5C16H21 (1)
Stoich.:	A5B16C21 (1)
Weight, g/mol:	283.179696
ΔH_f, kcal/mol:	69.4
Dipole, Da:	0.83
IP(EA), eV:	-8.7(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1C2=NC3=CC=CC=C3N2)CC)CCN

DOS

IR

Vibrations