Geometry & MOs

Info

ID:	59684
PubChem CID:	24893505
Reduced:	N3O5C29H39 (1)
Stoich.:	A3B5C29D39 (1)
Weight, g/mol:	283.192272
ΔH_f, kcal/mol:	-195.61
Dipole, Da:	2.98
IP(EA), eV:	-8.51(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-[[(2-cyclohexylpyrazol-3-yl)amino]-phenylmethylidene]-methylazanium

Drug info:

PubChemData

Smile

C=CCCC(=O)OC[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H](CC=C)CC(=O)NC3(CCCC3)CO

DOS

IR

Vibrations