Geometry & MOs

Info

ID:	279776
PubChem CID:	103845138
Reduced:	BrNC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	237.220498
ΔH_f, kcal/mol:	22.29
Dipole, Da:	1.15
IP(EA), eV:	-9.05(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethylpyrazol-3-yl)methyl]octan-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNCC2(CC2)C)Br

DOS

IR

Vibrations