Geometry & MOs

Info

ID:	255755
PubChem CID:	103134545
Reduced:	O6C15H20 (1)
Stoich.:	A6B15C20 (1)
Weight, g/mol:	269.164046
ΔH_f, kcal/mol:	-228.84
Dipole, Da:	6.81
IP(EA), eV:	-8.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2OC)C(=O)O)OC

DOS

IR

Vibrations