Geometry & MOs

Info

ID:	199251
PubChem CID:	79223341
Reduced:	OSC15H18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	283.179696
ΔH_f, kcal/mol:	-17.43
Dipole, Da:	2.53
IP(EA), eV:	-8.36(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1H-benzimidazol-2-yl)-3,5-diethylpyrazol-4-yl]ethanamine

Drug info:

PubChemData

Smile

C1CC1C(=O)CCCC2CC3=CC=CC=C3S2

DOS

IR

Vibrations