Geometry & MOs

Info

ID:	277728
PubChem CID:	103830646
Reduced:	ON3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	235.204848
ΔH_f, kcal/mol:	-39.87
Dipole, Da:	1.87
IP(EA), eV:	-8.54(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpyrazol-1-yl)ethyl]cyclooctanamine

Drug info:

PubChemData

Smile

CC1CC(C(CN1C)C)NCC2=NC(=C(O2)C)C

DOS

IR

Vibrations