Geometry & MOs

Info

ID:	138515
PubChem CID:	52378967
Reduced:	N3O4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	259.204848
ΔH_f, kcal/mol:	-109.47
Dipole, Da:	14.03
IP(EA), eV:	-8.94(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(cyclohexen-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)C[NH+]([C@@H](C2=CC(=C(C(=C2)C)OC)C)C(=O)[O-])C(C)C

DOS

IR

Vibrations