Geometry & MOs

Info

ID:	138516
PubChem CID:	52379082
Reduced:	N3C16H25 (1)
Stoich.:	A3B16C25 (1)
Weight, g/mol:	260.212673
ΔH_f, kcal/mol:	40.53
Dipole, Da:	2.79
IP(EA), eV:	-8.81(0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-(cyclohexen-1-yl)ethyl]-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN[C@@H](C)C2=CCCCC2)CC=C

DOS

IR

Vibrations