Geometry & MOs

Info

ID:	255296
PubChem CID:	103131222
Reduced:	N6C9H14 (1)
Stoich.:	A6B9C14 (1)
Weight, g/mol:	263.236148
ΔH_f, kcal/mol:	100.25
Dipole, Da:	2.45
IP(EA), eV:	-8.93(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclooctyl-(1-methylpyrazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(C1=NN(C=C1)C)C2=NNN=C2

DOS

IR

Vibrations